Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682000 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL8251625 | 0.79 | SIGMAR1 (0.49) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL6679797 | 0.79 | PNMT (0.61) | TAAR1SIGMAR1IDO1AGXTPYCR1 | |
| SCHEMBL6478004 | 0.78 | TAAR1 (0.48) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL2197431 | 0.76 | IDO1 (0.46) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL1513595 | 0.76 | SIGMAR1 (0.53) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL6684808 | 0.76 | TAAR1 (0.38) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL30138659 | 0.76 | SIGMAR1 (0.53) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL2241799 | 0.76 | TRPA1 (0.50) | CYP2D6TAAR1SIGMAR1 | |
| SCHEMBL3133598 | 0.76 | TAAR1 (0.54) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |