Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 11/20 | 0.35 |
| ▸ | HTR2A | P28223 | 11/20 | 0.35 |
| ▸ | HTR2C | P28335 | 11/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5635914 | 0.85 | DRD2 (0.42) | DRD2HTR2AHTR2C | |
| SCHEMBL5637067 | 0.84 | DRD2 (0.39) | STSDRD2HTR2AHTR2C | |
| SCHEMBL5638464 | 0.83 | ALDH1A1 (0.39) | STSALDH1A1DRD2HTR2AHTR2C | |
| SCHEMBL5637851 | 0.83 | PIK3CA (0.43) | STSALDH1A1PIK3CAMTORPRKDC | |
| SCHEMBL5636090 | 0.82 | HTR2C (0.37) | STSALDH1A1DRD2HTR2AHTR2C | |
| SCHEMBL5637446 | 0.82 | HTR2C (0.43) | DRD2HTR2AHTR2C | |
| SCHEMBL5637022 | 0.82 | DRD2 (0.44) | STSDRD2HTR2AHTR2C | |
| SCHEMBL5637179 | 0.82 | HTR2C (0.38) | DRD2HTR2AHTR2CPDE4BKDM4E | |
| SCHEMBL5636679 | 0.82 | HTR2C (0.38) | DRD2HTR2AHTR2CPDE4BKDM4E | |
| SCHEMBL5637381 | 0.81 | HTR2C (0.35) | STSALDH1A1DRD2HTR2AHTR2C |
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 |