Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL230776 | 0.83 | AKR1C1 (0.45) | AKR1C1OPRM1OPRL1TSHRHDAC4 | |
| SCHEMBL8195263 | 0.76 | AKR1C1 (0.42) | AKR1C1OPRM1OPRL1TSHRMAPT | |
| SCHEMBL5180168 | 0.73 | LDHA (0.43) | AKR1C1OPRM1OPRL1TSHRPOLB | |
| SCHEMBL4199640 | 0.73 | AKR1C1 (0.40) | AKR1C1OPRM1OPRL1TSHRHDAC4 | |
| SCHEMBL20592967 | 0.71 | AKR1C1 (0.45) | AKR1C1OPRM1OPRL1TSHRMAPT | |
| SCHEMBL6896429 | 0.69 | LMNA (0.36) | AKR1C1OPRM1OPRL1TSHRPOLB | |
| SCHEMBL5230381 | 0.69 | HSD11B1 (0.40) | MAOBHSD11B1 | |
| SCHEMBL2722547 | 0.68 | AKR1C1 (0.57) | AKR1C1OPRM1OPRL1HDAC4HDAC1 | |
| SCHEMBL501923 | 0.68 | AKR1C1 (0.57) | AKR1C1OPRM1OPRL1HDAC4HDAC1 | |
| SCHEMBL7082757 | 0.68 | AKR1C1 (0.42) | AKR1C1OPRM1OPRL1TSHRHDAC4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996008487-A1 | ENDOTHELIN ANTAGONISTS BEARING PYRIDYL AMIDES | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | claimed |
| WO-1996008486-A1 | ENDOTHELIN ANTAGONISTS BEARING 5-MEMBERED HETEROCYCLIC AMIDES | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | claimed |
| EP-2396003-A2 | A COMPOSITION COMPRISING (-)-TRANS-3-(5,6-DIHYDRO-4H-PYRROLO [3,2,1-IJ] QUINOLIN-1-YL)-4-(1H-INDOL-3-YL) PYRROLIDINE-2, 5-DIONE IN COMBINATION WITH A SECOND ANTI-PROLIFERATIVE AGENT, | ArQule, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010093789-A2 | COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER | ARQULE, INC. (US) | 2010-08-19 | — | — | WO | disclosed |
| EP-1846406-A1 | MALEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER | ArQule, Inc. (US) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006086484-A1 | MELEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER | ARQULE, INC. (US) | 2006-08-17 | — | — | WO | disclosed |
| US-6414013-B1 | KINASE INHIBITORS; ANTICANCER AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2002-07-02 | — | — | US | disclosed |
| WO-1996008486-A1 | ENDOTHELIN ANTAGONISTS BEARING 5-MEMBERED HETEROCYCLIC AMIDES | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |