Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15034659 | 0.88 | CALM1 (0.42) | CYP19A1ALDH1A1CALM1AKR1B1PTGS2 | |
| SCHEMBL9491787 | 0.81 | CYP19A1 (0.68) | CYP19A1ALDH1A1CALM1AKR1B1PTGS2 | |
| SCHEMBL10244962 | 0.80 | TAAR1 (0.62) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL17752566 | 0.79 | CYP11B1 (0.41) | FGFR1KDRCYP1A1CYP1B1 | |
| SCHEMBL1754089 | 0.78 | TAAR1 (0.57) | CALM1 | |
| SCHEMBL856046 | 0.77 | ALDH1A1 (0.52) | CYP19A1ALDH1A1CALM1AKR1B1PTGS2 | |
| SCHEMBL12932887 | 0.75 | HTR2A (0.60) | CYP19A1ALDH1A1PTGS2 | |
| SCHEMBL16450615 | 0.75 | CYP19A1 (0.47) | CYP19A1ALDH1A1CALM1AKR1B1PTGS2 | |
| SCHEMBL427550 | 0.75 | CYP19A1 (0.55) | CYP19A1ALDH1A1CALM1AKR1B1PTGS2 | |
| SCHEMBL18065769 | 0.74 | CYP19A1 (0.42) | CYP19A1CALM1AKR1B1PTGS2GABRA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140235642-A1 | TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS | AMGEN INC. (US) | 2014-08-21 | — | — | US | disclosed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20110015185-A1 | Benzofuran Compounds | BIOVITRUM AB (SE) | 2011-01-20 | — | — | US | disclosed |
| US-20100216796-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | KATTAR SOLOMON | 2010-08-26 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| US-20090111791-A1 | Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-30 | — | — | US | disclosed |
| US-20080132525-A1 | isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid | METHYLGENE INC. (CA) | 2008-06-05 | — | — | 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 (6 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-20100216796-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | BRDT, AADAC, ACIN1 | CYP19A1 426/4885ALDH1A1 1419/4885CALM1 3258/4885 |
| US-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | CYP19A1 1391/4885ALDH1A1 784/4885CALM1 2050/4885 |
| US-20140235642-A1 | TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS | TRPM8, TRPM7, TRPM5 | CYP19A1 4088/4885ALDH1A1 4051/4885CALM1 406/4885 |
| US-20090111791-A1 | Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same | EPHX1, EPHX2, NCEH1 | CYP19A1 706/4885ALDH1A1 385/4885CALM1 4686/4885 |
| US-20080132525-A1 | isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid | DNMT3B, DNMT1, DNMT3L | CYP19A1 1349/4885ALDH1A1 216/4885CALM1 3127/4885 |
| US-20110015185-A1 | Benzofuran Compounds | HTR6, HTR1F, HTR1A | CYP19A1 323/4885ALDH1A1 353/4885CALM1 3224/4885 |
“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.