Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31242992 | 0.88 | CYP2D6 (0.64) | CYP2D6LMNACES2CES1MAPK1 | |
| SCHEMBL8444103 | 0.83 | CYP2D6 (0.52) | CYP2D6LMNAMAPK1EPHX1KMT2A | |
| SCHEMBL11022438 | 0.82 | CYP2D6 (0.56) | CYP2D6LMNACES2CES1MAPK1 | |
| SCHEMBL21939337 | 0.81 | CYP2D6 (0.76) | CYP2D6LMNACES2CES1MAPK1 | |
| SCHEMBL5475337 | 0.80 | CYP2D6 (0.54) | CYP2D6LMNAEPHX1KMT2AALOX5 | |
| SCHEMBL14749339 | 0.80 | CYP2D6 (0.54) | CYP2D6LMNAEPHX1KMT2AALOX5 | |
| SCHEMBL11022387 | 0.80 | CYP2D6 (0.54) | CYP2D6LMNACES2CES1MAPK1 | |
| SCHEMBL1483328 | 0.80 | CYP2D6 (0.54) | CYP2D6LMNAEPHX1KMT2AALOX5 | |
| SCHEMBL21327667 | 0.78 | CYP2D6 (0.52) | CYP2D6LMNAEPHX1KMT2ASRC | |
| SCHEMBL8376271 | 0.78 | CYP2D6 (0.52) | CYP2D6LMNAEPHX1KMT2ASRC |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1996008486-A1 | ENDOTHELIN ANTAGONISTS BEARING 5-MEMBERED HETEROCYCLIC AMIDES | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |