Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 12/20 | 0.54 |
| ▸ | DRD2 | P14416 | 10/20 | 0.44 |
| ▸ | HTR2A | P28223 | 10/20 | 0.44 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636180 | 1.00 | HTR2C (0.54) | HTR2CDRD2HTR2ACNR1CNR2 | |
| SCHEMBL5637659 | 0.96 | HTR2C (0.48) | HTR2CDRD2HTR2ACNR1CNR2 | |
| SCHEMBL5637526 | 0.94 | HTR2C (0.55) | HTR2CDRD2HTR2ACNR1CNR2 | |
| SCHEMBL5638128 | 0.94 | HTR2C (0.55) | HTR2CDRD2HTR2ACNR1CNR2 | |
| SCHEMBL5636581 | 0.92 | HTR2C (0.45) | HTR2CDRD2HTR2APAK1 | |
| SCHEMBL5636957 | 0.90 | HTR2C (0.43) | HTR2CDRD2HTR2A | |
| SCHEMBL5636395 | 0.89 | HTR2C (0.43) | HTR2CDRD2HTR2AMAPTALDH1A1 | |
| SCHEMBL5638054 | 0.87 | HTR2C (0.47) | HTR2CDRD2HTR2AMAPT | |
| SCHEMBL5635470 | 0.87 | HTR2C (0.47) | HTR2CDRD2HTR2AMAPT | |
| SCHEMBL5848567 | 0.86 | HTR2C (0.41) | HTR2CHTR2ACNR1CNR2PAK1 |
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 |