Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 5/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23276967 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL13887587 | 0.85 | WNT1 (0.38) | SLC6A2WNT1GSK3BDYRK1AACKR3 | |
| SCHEMBL7911375 | 0.84 | IRAK4 (0.39) | SLC6A2WNT1GSK3BDYRK1AACKR3 | |
| SCHEMBL17485483 | 0.82 | ACKR3 (0.39) | CYP1A2SLC6A2WNT1GSK3BDYRK1A | |
| SCHEMBL16775646 | 0.82 | ACKR3 (0.39) | CYP1A2SLC6A2WNT1GSK3BDYRK1A | |
| SCHEMBL7920193 | 0.82 | BRD4 (0.45) | SLC6A2WNT1GSK3BDYRK1AACKR3 | |
| SCHEMBL16769870 | 0.82 | ACKR3 (0.39) | CYP1A2SLC6A2WNT1GSK3BDYRK1A | |
| SCHEMBL11728341 | 0.80 | TSHR (0.40) | SLC6A2WNT1GSK3BDYRK1AACKR3 | |
| SCHEMBL4550201 | 0.80 | ALDH1A1 (0.43) | SLC6A2WNT1GSK3BDYRK1AACKR3 | |
| SCHEMBL6545646 | 0.79 | CCR2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19HRH3 |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2019113175-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2019-06-13 | — | — | WO | disclosed |
| EP-3052504-B1 | CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS | UNIV BASEL (CH) | 2019-02-06 | — | — | EP | disclosed |
| US-20170355701-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. | 2017-12-14 | — | — | US | disclosed |
| WO-2017214395-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2017-12-14 | — | — | WO | disclosed |
| US-9556203-B2 | Conformationally restricted P13K and mTOR inhibitors | PIQUR THERAPEUTICS AG (CH) | 2017-01-31 | — | — | US | disclosed |
| US-9487533-B2 | Phosphoinositide 3-kinase inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2016-11-08 | — | — | US | disclosed |
| EP-2364302-B1 | TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIV BASEL (CH) | 2016-10-05 | — | — | EP | disclosed |
| US-20160244463-A1 | CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS | TORQUR AG (CH) | 2016-08-25 | — | — | US | disclosed |
| US-9340538-B2 | Dihydropyrimidine compounds and their application in pharmaceuticals | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-05-17 | — | — | US | disclosed |
| US-7256315-B2 | Reacting methylmercaptan and acrolein in the presence of a catalyst of an acid and N-alkyl-morpholine | ADISSEO IRELAND LTD. (IE) | 2007-08-14 | — | — | US | disclosed |
| US-20050240048-A1 | Process for the production of 3-methylthiopropanal | ADISEO IRELAND LTD | 2005-10-27 | — | — | US | disclosed |
| EP-1556343-A1 | PROCESS FOR THE PRODUCTION OF 3-METHYLTHIOPROPANAL | Adisseo Ireland Limited (IE) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004037774-A1 | PROCESS FOR THE PRODUCTION OF 3-METHYLTHIOPROPANAL | ADISSEO IRELAND LTD (IE) | 2004-05-06 | — | — | WO | disclosed |
| EP-1413573-A1 | Process for the production of 3-methylthiopropanal | Adisseo France S.A.S. (FR) | 2004-04-28 | — | — | EP | disclosed |
| US-20020019543-A1 | Thiol derivative, metallo-beta-lactamase inhibitors | BALKOVEC JAMES M (US) | 2002-02-14 | — | — | US | disclosed |
| EP-0209061-B1 | Peptides having an anticoagulant activity, process for their preparation, obtention, their use and agents containing them | HOECHST AG (DE) | 1994-01-12 | — | — | EP | disclosed |
| US-4746729-A | ELASTASE-MEDIATED TISSUE INJURY DISEASE | RUSH-PRESBYTERIAN-ST. LUKE'S MEDICAL CENTER, 1653 WEST CONGRESS PARKWAY, CHICAGO, ILLINOIS 60612 A NOT-FOR-PROFIT CORP. OF ILLINOIS | 1988-05-24 | — | — | US | disclosed |
| EP-0257312-A2 | A new cartilage-derived leukocyte elastase-inhibitor | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-03-02 | — | — | EP | disclosed |
| EP-0209061-A2 | Peptides having an anticoagulant activity, process for their preparation, obtention, their use and agents containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-01-21 | — | — | EP | 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 (3 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-20170355701-A1 | HEPATITIS B ANTIVIRAL AGENTS | HAVCR2, SLC10A1, HDGF | CYP1A2 779/4885CYP2D6 993/4885CYP2C9 685/4885 |
| US-20160244463-A1 | CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS | MTOR, RICTOR, PIK3R4 | CYP1A2 2275/4885CYP2D6 2353/4885CYP2C9 2611/4885 |
| US-20020019543-A1 | Thiol derivative, metallo-beta-lactamase inhibitors | CBR1, LBR, CBR3 | CYP1A2 318/4885CYP2D6 332/4885CYP2C9 211/4885 |
“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.