Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.39 |
| ▸ | PNMT | P11086 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL27717593 | 0.85 | ALDH1A1 (0.47) | TAAR1ALDH1A1MAPTCSNK2A1PNMT | |
| SCHEMBL5558540 | 0.79 | TAAR1 (0.62) | TAAR1HRH3MAOBCSNK2A1PNMT | |
| Hydrochloric Acid SCHEMBL28042397 | 0.72 | CSNK2A1 (0.49) | TAAR1CSNK2A1PNMT | |
| SCHEMBL14623555 | 0.72 | ALDH1A1 (0.46) | TAAR1ALDH1A1MAPTPNMT | |
| SCHEMBL2274647 | 0.71 | HRH3 (1.00) | TAAR1HRH3CYP2A6ADRB2 | |
| SCHEMBL2690730 | 0.69 | TAAR1 (1.00) | TAAR1HRH3MAOBCSNK2A1PNMT | |
| SCHEMBL2092888 | 0.69 | HRH3 (0.74) | TAAR1HRH3MAOBPNMTMCHR1 | |
| SCHEMBL28223278 | 0.69 | HRH3 (0.82) | TAAR1HRH3CYP2A6ADRB2 | |
| SCHEMBL5952281 | 0.69 | TAAR1 (0.70) | TAAR1HRH3MAOBPNMTMCHR1 | |
| Hydrochloric Acid SCHEMBL28279881 | 0.68 | TAAR1 (0.96) | TAAR1HRH3MAOBCSNK2A1PNMT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101268075-A | Substituted tetrahydro-1H-pyrido[4,3-B]indoles as serotonin receptors agonists and antagonists | BRISTOL MYERS SQUIBB CO (US) | 2008-09-17 | — | — | CN | disclosed |