Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TET3 | O43151 | 2/20 | 0.41 |
| ▸ | FBXL19 | Q6PCT2 | 2/20 | 0.41 |
| ▸ | CXXC5 | Q7LFL8 | 2/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.41 |
| ▸ | CXXC4 | Q9H2H0 | 2/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | TET1 | Q8NFU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL21873984 | 0.92 | AKR1C1 (0.68) | AKR1C1KMT2AMEN1TSHRTPMT | |
| SCHEMBL3151704 | 0.84 | OPRM1 (0.63) | AKR1C1KMT2AOPRM1TET3FBXL19 | |
| SCHEMBL5644252 | 0.81 | OPRM1 (0.42) | AKR1C1TPMTOPRM1 | |
| SCHEMBL350266 | 0.80 | APP (0.58) | AKR1C1KMT2AMEN1TSHRAPP | |
| SCHEMBL6391 | 0.79 | AKR1C1 (0.83) | AKR1C1KMT2AMEN1CYP2C19TET3 | |
| SCHEMBL31016196 | 0.79 | AKR1C1 (0.83) | AKR1C1KMT2AMEN1CYP2C19TET3 | |
| SCHEMBL351393 | 0.78 | AKR1C1 (0.55) | AKR1C1KMT2AMEN1TSHROPRM1 | |
| SCHEMBL301150 | 0.78 | APP (0.61) | AKR1C1KMT2AMEN1APPCYP2C19 | |
| SCHEMBL9939565 | 0.78 | AKR1C1 (0.55) | AKR1C1KMT2AMEN1TSHRAPP | |
| SCHEMBL75310 | 0.78 | TET3 (0.61) | AKR1C1KMT2ATET3FBXL19CXXC5 |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4859232-A | Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes | MONSANTO COMPANY (US) | 1989-08-22 | — | — | US | claimed |
| CN-105745212-B | Spiro derivatives of substituted 4, 5-dihydropyrazolo [3,4-c ] pyridin-2-ones and uses thereof | 四川海思科制药有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-105745212-A | Spiro derivatives of substituted 4, 5-dihydropyrazolo [3,4-c ] pyridin-2-ones and uses thereof | 四川海思科制药有限公司 | 2016-07-06 | — | — | CN | disclosed |
| EP-2782903-B1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | HOFFMANN LA ROCHE (CH) | 2016-04-06 | — | — | EP | disclosed |
| WO-2015081901-A1 | SUBSTITUTED 4, 5-DIHYDROPYRAZOLO [3, 4-C] PYRIDINE-2-ONE SPIROCYCLIC DERIVATIVE, AND USE THEREOF | 四川海思科制药有限公司 | 2015-06-11 | — | — | WO | disclosed |
| US-8975235-B2 | Lysophosphatidic acid receptor antagonists | INTERMUNE, INC. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8975235-B2 | Lysophosphatidic acid receptor antagonists | INTERMUNE, INC. (US) | 2015-03-10 | — | — | US | disclosed |
| EP-2782903-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| US-8729061-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| WO-2013076063-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-30 | — | — | WO | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |
| EP-1171113-A1 | COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6284768-B1 | Src family SH2 domain inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2001-09-04 | — | — | US | disclosed |
| US-6268365-B1 | Src family SH2 domain inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2001-07-31 | — | — | US | disclosed |
| US-6156784-A | Compounds useful as phosphotyrosine mimics | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-12-05 | — | — | US | disclosed |
| WO-2000062770-A1 | COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-10-26 | — | — | WO | disclosed |
| EP-1045836-A1 | PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| US-6054470-A | Src family SH2 domain inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-04-25 | — | — | US | disclosed |
| WO-1999031066-A1 | PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1999-06-24 | — | — | WO | disclosed |
| US-4859232-A | Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes | MONSANTO COMPANY (US) | 1989-08-22 | — | — | US | disclosed |