Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 14/20 | 0.41 |
| ▸ | DRD2 | P14416 | 12/20 | 0.41 |
| ▸ | HTR2A | P28223 | 12/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 2/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636581 | 0.86 | HTR2C (0.45) | HTR2CDRD2HTR2APAK1 | |
| SCHEMBL6756119 | 0.81 | HTR2C (0.42) | HTR2CDRD2HTR2AJAK2 | |
| SCHEMBL5638001 | 0.80 | HTR2C (0.41) | HTR2CDRD2HTR2A | |
| SCHEMBL5637691 | 0.80 | HTR2C (0.42) | HTR2CDRD2HTR2A | |
| SCHEMBL5636652 | 0.80 | HTR2C (0.61) | HTR2CDRD2HTR2A | |
| SCHEMBL5634987 | 0.80 | HTR2C (0.54) | HTR2CDRD2HTR2APAK1 | |
| SCHEMBL5636180 | 0.80 | HTR2C (0.54) | HTR2CDRD2HTR2APAK1 | |
| SCHEMBL5635359 | 0.80 | HTR2C (0.60) | HTR2CDRD2HTR2A | |
| SCHEMBL6754171 | 0.80 | HTT (0.38) | HTR2CDRD2HTR2A | |
| SCHEMBL6756093 | 0.79 | EPHX2 (0.38) | HTR2CDRD2HTR2A |
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 |