Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 14/20 | 0.60 |
| ▸ | HTR2A | P28223 | 9/20 | 0.60 |
| ▸ | HTR2B | P41595 | 4/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | EED | O75530 | 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 | |
|---|---|---|---|---|
| SCHEMBL5636506 | 1.00 | HTR2C (0.60) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5636025 | 0.92 | HTR2C (0.56) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5635000 | 0.92 | HTR2C (0.56) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5636776 | 0.89 | HTR2C (0.52) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5636602 | 0.83 | HTR2C (0.48) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5637404 | 0.82 | HTR2C (0.48) | HTR2CHTR2AHTR2B | |
| SCHEMBL5637076 | 0.81 | HTR2C (0.44) | HTR2CHTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL5635163 | 0.81 | HTR2C (0.65) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5636261 | 0.80 | HTR2C (0.52) | HTR2CHTR2AHTR2BHTR1ADRD4 | |
| SCHEMBL5636282 | 0.78 | HTR2C (0.46) | HTR2CHTR2AHTR2B |
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 |