Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 2/20 | 0.44 |
| ▸ | CCND1 | P24385 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5635131 | 0.85 | MEN1 (0.46) | LIMK2CDK4CCND1HDAC6HDAC1 | |
| SCHEMBL5638410 | 0.81 | CES2 (0.41) | NAMPTHDAC6 | |
| SCHEMBL5637425 | 0.77 | TNFSF11 (0.49) | GAAALDH1A1RAB9AHPGD | |
| SCHEMBL6972956 | 0.76 | CNR2 (0.40) | GAAALDH1A1 | |
| SCHEMBL15218736 | 0.76 | MCHR1 (0.56) | MCHR1NSD2CYP1A2CYP3A4GAA | |
| SCHEMBL28283417 | 0.76 | MCHR1 (0.56) | MCHR1NSD2CYP1A2CYP3A4GAA | |
| SCHEMBL5656552 | 0.75 | KDM4E (0.36) | ALDH1A1 | |
| SCHEMBL23417262 | 0.75 | ALDH1A1 (0.44) | LIMK2CDK4CCND1NAMPTDRD2 | |
| SCHEMBL7485101 | 0.75 | MCHR1 (0.49) | MCHR1NSD2CYP1A2CYP3A4GAA | |
| SCHEMBL19997023 | 0.73 | HTR7 (0.54) | MCHR1NSD2GAACYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| EP-1192165-B1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-09-22 | — | — | EP | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |