Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 9/20 | 0.72 |
| ▸ | HTR2B | P41595 | 7/20 | 0.72 |
| ▸ | HTR2A | P28223 | 5/20 | 0.72 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636468 | 0.95 | HTR2C (0.75) | HTR2CHTR2BHTR2AEPHX2ROCK2 | |
| SCHEMBL5636323 | 0.91 | HTR2C (0.59) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5637157 | 0.91 | HTR2A (0.59) | HTR2CHTR2BHTR2A | |
| SCHEMBL5637903 | 0.88 | HTR2C (0.55) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5638470 | 0.88 | HTR2C (0.54) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5637734 | 0.88 | HTR2C (0.54) | HTR2CHTR2BHTR2AROCK2HTR6 | |
| SCHEMBL5636624 | 0.87 | HTR2C (0.53) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL6494037 | 0.86 | HTR2C (0.77) | HTR2CHTR2BHTR2AEPHX2ROCK2 | |
| SCHEMBL6490562 | 0.86 | HTR2C (0.77) | HTR2CHTR2BHTR2AEPHX2ROCK2 | |
| SCHEMBL6494032 | 0.86 | HTR2C (0.77) | HTR2CHTR2BHTR2AEPHX2ROCK2 |
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 |