Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1151364 | 0.79 | PNMT (0.60) | IDO1PNMTTAAR1SLC6A4CYP2D6 | |
| SCHEMBL9502847 | 0.79 | PNMT (0.38) | IDO1PNMTTAAR1SLC6A4CYP2D6 | |
| SCHEMBL3781759 | 0.79 | GABRA1 (0.46) | PNMTTAAR1SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL13929779 | 0.77 | PNMT (0.37) | IDO1PNMTTAAR1SLC6A4CYP2D6 | |
| SCHEMBL16951603 | 0.77 | SLC6A4 (0.38) | IDO1PNMTTAAR1SLC6A4CYP2D6 | |
| SCHEMBL1438163 | 0.77 | PDCD1 (0.44) | PNMTTAAR1SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL29783268 | 0.77 | PNMT (0.37) | IDO1PNMTTAAR1SLC6A4CYP2D6 | |
| SCHEMBL1150524 | 0.77 | PNMT (0.37) | IDO1PNMTTAAR1SLC6A4CYP2D6 | |
| SCHEMBL1145379 | 0.76 | IDO1 (0.65) | IDO1PNMTTAAR1CYP2D6CYP1A2 | |
| SCHEMBL5352619 | 0.76 | ESR1 (0.44) | IDO1TAAR1CYP1A2CYP2A6P2RX7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4783562-A | Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-08 | — | — | US | disclosed |
| EP-0061029-B1 | PROCESS FOR THE PREPARATION OF TRICHLOROMETHYL-SUBSTITUTED AROMATIC COMPOUNDS | BAYER AG (DE) | 1986-01-08 | — | — | EP | disclosed |
| EP-0061029-A1 | Process for the preparation of trichloromethyl-substituted aromatic compounds | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |