Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 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 | 0.93 | OPRD1 (0.39) | ACHEROCK1OPRD1MCHR1KCNH2 | |
| SCHEMBL14388564 | 0.87 | ACHE (0.36) | ACHEROCK1OPRD1MCHR1KCNH2 | |
| SCHEMBL5605723 | 0.86 | ACHE (0.36) | ACHEROCK1OPRD1MCHR1KCNH2 | |
| SCHEMBL27731815 | 0.83 | ACHE (0.38) | ACHEROCK1OPRD1MCHR1KCNH2 | |
| SCHEMBL27731820 | 0.78 | ACHE (0.38) | ACHEROCK1OPRD1MCHR1KCNH2 | |
| SCHEMBL3695341 | 0.69 | NPC1 (0.42) | ROCK1MCHR1ALDH1A1KDM4EHPGD | |
| SCHEMBL3695648 | 0.69 | KDM4E (0.47) | ROCK1MCHR1ALDH1A1KDM4EHPGD | |
| SCHEMBL3699058 | 0.67 | KDM4E (0.41) | ROCK1MCHR1ALDH1A1KDM4EHPGD | |
| SCHEMBL3692381 | 0.66 | CDK4 (0.43) | ROCK1KCNH2ALDH1A1KDM4EHPGD | |
| SCHEMBL21042092 | 0.65 | ALDH1A1 (0.50) | OPRD1ALDH1A1KDM4EHPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |