Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 18/20 | 0.59 |
| ▸ | HTR2A | P28223 | 12/20 | 0.55 |
| ▸ | HTR2B | P41595 | 8/20 | 0.55 |
| ▸ | DRD2 | P14416 | 7/20 | 0.32 |
| ▸ | RYR2 | Q92736 | 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 | |
|---|---|---|---|---|
| SCHEMBL5636294 | 0.92 | HTR2C (0.58) | HTR2CHTR2AHTR2BDRD2 | |
| SCHEMBL6752987 | 0.92 | HTR2C (0.58) | HTR2CHTR2AHTR2BDRD2RYR2 | |
| SCHEMBL5636095 | 0.92 | HTR2C (0.58) | HTR2CHTR2AHTR2BDRD2RYR2 | |
| SCHEMBL5636799 | 0.91 | HTR2C (0.56) | HTR2CHTR2AHTR2B | |
| SCHEMBL5636958 | 0.90 | HTR2C (0.62) | HTR2CHTR2AHTR2BRYR2 | |
| SCHEMBL5638466 | 0.89 | HTR2C (0.61) | HTR2CHTR2AHTR2BRYR2 | |
| SCHEMBL5636375 | 0.89 | HTR2C (0.56) | HTR2CHTR2AHTR2BDRD2 | |
| SCHEMBL5636700 | 0.88 | HTR2C (0.68) | HTR2CHTR2AHTR2BDRD2 | |
| SCHEMBL5636633 | 0.88 | HTR2C (0.61) | HTR2CHTR2AHTR2BDRD2RYR2 | |
| SCHEMBL5636580 | 0.87 | HTR2C (0.58) | HTR2CHTR2AHTR2BDRD2RYR2 |
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 |