Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | CES2 | O00748 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19524692 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2D6HSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL17003209 | 0.83 | HSD17B10 (0.64) | CYP1A2CYP2D6HSD17B10CES1CES2 | |
| SCHEMBL693428 | 0.83 | HSD17B10 (0.64) | CYP1A2CYP2D6HSD17B10CES1CES2 | |
| SCHEMBL5998675 | 0.79 | L3MBTL1 (0.48) | CYP1A2CYP2D6HSD17B10CES1CES2 | |
| SCHEMBL478673 | 0.79 | TSHR (0.48) | CYP1A2CYP2D6HSD17B10CES1ALDH1A1 | |
| SCHEMBL17003212 | 0.78 | PRSS1 (0.44) | CYP1A2CYP2D6HSD17B10CES1CES2 | |
| SCHEMBL18931501 | 0.76 | CYP1A2 (0.43) | CYP1A2CYP2D6HSD17B10CES1CES2 | |
| SCHEMBL22016920 | 0.76 | HSD17B10 (0.43) | CYP1A2CYP2D6HSD17B10CES1CES2 | |
| SCHEMBL17723 | 0.76 | GAA (0.52) | CYP1A2CYP2D6HSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL13398132 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2D6HSD17B10CES1CES2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180170938-A1 | BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2018-06-21 | — | — | US | disclosed |
| US-20150080598-A1 | ASYMMETRIC SYNTHESIS FOR PREPARING FLUOROLEUCINE ALKYL ESTERS | MERCK SHARP & DOHME CORP | 2015-03-19 | — | — | US | disclosed |
| US-8937184-B2 | 1H-imidazole derivatives as cannabinoid CB2 receptor modulators | ABBVIE B.V. (NL) | 2015-01-20 | — | — | US | disclosed |
| US-8716524-B2 | Optically active quaternary ammonium salt having axial asymmetry and process for producing a-amino acid and derivative thereof with the same | NAGASE & CO., LTD (JP) | 2014-05-06 | — | — | US | disclosed |
| US-8586765-B2 | Process for the synthesis of 3-amino-3-cyclobuthylmethyl-2-hydroxypropionamide or salts thereof | MERCK SHARP & DOHME CORP. (US) | 2013-11-19 | — | — | US | disclosed |
| US-8586570-B2 | Sox-based kinase sensor | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-11-19 | — | — | US | disclosed |
| US-8344029-B2 | Substituted propanamide derivative and pharmaceutical composition containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-01-01 | — | — | US | disclosed |
| US-8110680-B2 | Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same | NAGASE & CO., LTD. (JP) | 2012-02-07 | — | — | US | disclosed |
| US-20110281290-A1 | SOX-BASED KINASE SENSOR | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-11-17 | — | — | US | disclosed |
| US-8019550-B2 | Drug discovery method | Keddem Bioscience Ltd. (IL) | 2011-09-13 | — | — | US | disclosed |
| US-20090270614-A1 | OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME | NAGASE & CO., LTD. (JP) | 2009-10-29 | — | — | US | disclosed |
| US-7595419-B2 | Process and intermediates for the preparation of 3-(amino)-3-cyclobutylmethyl-2-hydroxy-propionamide or salts thereof | SCHERING CORPORATION (US) | 2009-09-29 | — | — | US | disclosed |
| US-7429674-B2 | Process for preparing fluoroleucine alkyl esters | MERCK & CO. INC.. (US) | 2008-09-30 | — | — | US | disclosed |
| US-20080085894-A1 | ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-04-10 | — | — | US | disclosed |
| US-20080050761-A1 | Sox-based kinase sensor | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2008-02-28 | — | — | US | disclosed |
| US-7326795-B2 | Process and intermediates for the preparation of (1R,2S,5S)-3-azabicyclo[3,1,0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[1,1-dimethylethyl]amino]carbonylamino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl | SCHERING CORPORATION (US) | 2008-02-05 | — | — | US | disclosed |
| US-7312230-B2 | Carboxylic acid derivatives as IP antagonists | ROCHE PALO ALTO LLC (US) | 2007-12-25 | — | — | US | disclosed |
| US-20070161624-A1 | Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same | KISHIDA CHEMICAL CO., LTD. (JP) | 2007-07-12 | — | — | US | disclosed |
| US-20070135654-A1 | OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME | NAGASE & CO., LTD (JP) | 2007-06-14 | — | — | US | disclosed |
| US-20070043234-A1 | Use of functionalized onium salts as a soluble support for organic synthesis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2007-02-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070135654-A1 | OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME | BCAT1, BCAT2, AADAT | CYP1A2 2680/4885CYP2D6 3472/4885HSD17B10 1671/4885 |
| US-20080085894-A1 | ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS | APP, APBA1, BACE1 | CYP1A2 3396/4885CYP2D6 4488/4885HSD17B10 3525/4885 |
| US-20070043234-A1 | Use of functionalized onium salts as a soluble support for organic synthesis | NOS1, NOS2, F12 | CYP1A2 363/4885CYP2D6 1940/4885HSD17B10 3522/4885 |
| US-20080050761-A1 | Sox-based kinase sensor | SOX18, HIPK1, HIPK3 | CYP1A2 4826/4885CYP2D6 4807/4885HSD17B10 2064/4885 |
| US-20090270614-A1 | OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME | BCAT1, BCAT2, AADAT | CYP1A2 1393/4885CYP2D6 2715/4885HSD17B10 1492/4885 |
| US-20180170938-A1 | BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS | CFTR, P2RY2, P2RX5 | CYP1A2 1557/4885CYP2D6 1933/4885HSD17B10 4676/4885 |
| US-20150080598-A1 | ASYMMETRIC SYNTHESIS FOR PREPARING FLUOROLEUCINE ALKYL ESTERS | INF2, BCAT1, BCAT2 | CYP1A2 710/4885CYP2D6 381/4885HSD17B10 1323/4885 |
| US-20070161624-A1 | Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same | BCAT1, BCAT2, AADAT | CYP1A2 2680/4885CYP2D6 3472/4885HSD17B10 1671/4885 |
| US-20110281290-A1 | SOX-BASED KINASE SENSOR | SOX18, HIPK1, HIPK3 | CYP1A2 4826/4885CYP2D6 4807/4885HSD17B10 2064/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.