Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 9/20 | 0.42 |
| ▸ | HTR2A | P28223 | 7/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 4/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636639 | 0.90 | HTR2C (0.48) | HTR2CHTR2AHTR2BAKT1 | |
| SCHEMBL5635170 | 0.88 | HTR2C (0.46) | HTR2CHTR2AHTR2BAKT1 | |
| SCHEMBL5638526 | 0.86 | HTR2C (0.44) | HTR2CHTR2AHTR2BDRD2AKT1 | |
| SCHEMBL5636624 | 0.86 | HTR2C (0.53) | HTR2CHTR2AHTR2B | |
| SCHEMBL5636979 | 0.86 | HTR2C (0.46) | HTR2CHTR2AHTR2BDRD2AKT1 | |
| SCHEMBL5636451 | 0.85 | HTR2C (0.51) | HTR2CHTR2AHTR2B | |
| SCHEMBL5636217 | 0.84 | HTR2C (0.40) | HTR2CHTR2AHTR2B | |
| SCHEMBL5638459 | 0.84 | HTR2C (0.45) | HTR2CHTR2AHTR2BDRD2AKT1 | |
| SCHEMBL5637941 | 0.83 | HTR2C (0.45) | HTR2CHTR2AHTR2BDRD2AKT1 | |
| SCHEMBL5637932 | 0.83 | HTR2C (0.43) | HTR2CHTR2AHTR2BDRD2HTR1A |
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 |