Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL3695118 | 0.88 | OPRD1 (0.39) | ACHEOPRD1ROCK1CDK4CCND1 | |
| SCHEMBL13611680 | 0.86 | ACHE (0.36) | ACHEOPRD1ROCK1CDK4CCND1 | |
| SCHEMBL14388564 | 0.83 | ACHE (0.36) | ACHEOPRD1ROCK1PARP1KDM4E | |
| SCHEMBL27731815 | 0.79 | ACHE (0.38) | ACHEOPRD1ROCK1KDM4EALDH1A1 | |
| SCHEMBL27731820 | 0.74 | ACHE (0.38) | ACHEOPRD1ROCK1PARP1KDM4E | |
| SCHEMBL3695648 | 0.69 | KDM4E (0.47) | ROCK1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL3695341 | 0.66 | NPC1 (0.42) | ROCK1CDK4CCND1KDM4EALDH1A1 | |
| SCHEMBL3699058 | 0.64 | KDM4E (0.41) | ROCK1CDK4CCND1KDM4EALDH1A1 | |
| SCHEMBL3692381 | 0.62 | CDK4 (0.43) | ROCK1CDK4CCND1KDM4EALDH1A1 | |
| SCHEMBL21042092 | 0.62 | ALDH1A1 (0.50) | OPRD1KDM4EALDH1A1HSD17B10HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851199-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | claimed |
| WO-2006086705-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | WO | claimed |