Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 12/20 | 0.39 |
| ▸ | DRD2 | P14416 | 11/20 | 0.39 |
| ▸ | HTR2A | P28223 | 11/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL5637851 | 0.92 | PIK3CA (0.43) | HTR2CDRD2HTR2AALDH1A1STS | |
| SCHEMBL5638812 | 0.87 | DRD2 (0.44) | HTR2CDRD2HTR2AJAK2 | |
| SCHEMBL6756119 | 0.86 | HTR2C (0.42) | HTR2CDRD2HTR2AALDH1A1JAK3 | |
| SCHEMBL5638464 | 0.83 | ALDH1A1 (0.39) | HTR2CDRD2HTR2AALDH1A1STS | |
| SCHEMBL5635052 | 0.81 | ALDH1A1 (0.38) | HTR2CDRD2HTR2AALDH1A1STS | |
| SCHEMBL5637649 | 0.80 | HTR2C (0.58) | HTR2CDRD2HTR2A | |
| SCHEMBL6754171 | 0.80 | HTT (0.38) | HTR2CDRD2HTR2AALDH1A1STS | |
| SCHEMBL5636090 | 0.79 | HTR2C (0.37) | HTR2CDRD2HTR2AALDH1A1STS | |
| SCHEMBL6756093 | 0.79 | EPHX2 (0.38) | HTR2CDRD2HTR2AALDH1A1STS | |
| SCHEMBL5637120 | 0.79 | DRD2 (0.44) | HTR2CDRD2HTR2AALDH1A1USP30 |
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 |