Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6184353 | 0.85 | ALDH1A1 (0.48) | KMT2AAOC3NPC1RAB9AMEN1 | |
| SCHEMBL6822577 | 0.83 | LTB4R (0.43) | TAAR1KMT2AAOC3NPC1RAB9A | |
| SCHEMBL6822576 | 0.83 | LTB4R (0.43) | TAAR1KMT2AAOC3NPC1RAB9A | |
| SCHEMBL6872510 | 0.82 | KCNH2 (0.45) | CA12 | |
| SCHEMBL5526268 | 0.82 | CTSS (0.45) | TAAR1MLYCD | |
| SCHEMBL4333356 | 0.79 | KMT2A (0.55) | TAAR1KMT2AAOC3NPC1RAB9A | |
| SCHEMBL5526069 | 0.76 | CTSS (0.49) | — | |
| SCHEMBL14110428 | 0.75 | KMT2A (0.47) | TAAR1KMT2AAOC3NPC1RAB9A | |
| SCHEMBL15955098 | 0.73 | KMT2A (0.49) | TAAR1KMT2AAOC3NPC1RAB9A | |
| SCHEMBL6446464 | 0.73 | OPRM1 (0.38) | KMT2ATDP1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1452522-A2 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-09-01 | — | — | EP | disclosed |
| EP-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |