Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL6685050 | 0.85 | CYP2A6 (0.36) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL6685691 | 0.82 | CYP1A2 (0.40) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL6682140 | 0.82 | HTR1B (0.37) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL6686396 | 0.81 | KDM4E (0.36) | CYP1A2ALDH1A1CYP2C19CYP2D6TDP1 | |
| SCHEMBL7907348 | 0.81 | ALDH1A1 (0.39) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL6684868 | 0.80 | ALDH1A1 (0.41) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL6680367 | 0.80 | KDM4E (0.38) | CYP1A2ALDH1A1CYP2C19CYP2D6TDP1 | |
| SCHEMBL6684822 | 0.80 | KDM4E (0.38) | CYP1A2ALDH1A1CYP2C19CYP2D6TDP1 | |
| SCHEMBL6547735 | 0.78 | ALDH1A1 (0.43) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL2127614 | 0.78 | ALDH1A1 (0.43) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 |
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 |