Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | ACP1 | P24666 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5638182 | 0.95 | HTR2C (0.48) | HTR2CHTR2AHTR2BAKT1HTR6 | |
| SCHEMBL5637734 | 0.90 | HTR2C (0.54) | HTR2CHTR2AHTR2BHTR6PLAT | |
| SCHEMBL5637209 | 0.88 | HTR2C (0.42) | HTR2CHTR2AHTR2BAKT1 | |
| SCHEMBL5636639 | 0.88 | HTR2C (0.48) | HTR2CHTR2AHTR2BAKT1HTR6 | |
| SCHEMBL5638389 | 0.87 | HTR2C (0.43) | HTR2CHTR2AHTR2BHTR6TNIK | |
| SCHEMBL5410508 | 0.84 | HTR2C (0.58) | HTR2CHTR2AHTR2BPLATKCNH2 | |
| SCHEMBL5410506 | 0.84 | HTR2C (0.58) | HTR2CHTR2AHTR2BPLATKCNH2 | |
| SCHEMBL5636624 | 0.84 | HTR2C (0.53) | HTR2CHTR2AHTR2BHTR6TNIK | |
| SCHEMBL5410691 | 0.83 | HTR2C (0.66) | HTR2CHTR2AHTR2BKCNH2ACP1 | |
| SCHEMBL5410687 | 0.83 | HTR2C (0.66) | HTR2CHTR2AHTR2BKCNH2ACP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | 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 |