Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6685047 | 0.89 | SIGMAR1 (0.44) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6682133 | 0.88 | SIGMAR1 (0.43) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6686393 | 0.86 | SIGMAR1 (0.43) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6684820 | 0.86 | SIGMAR1 (0.43) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6680360 | 0.86 | SIGMAR1 (0.43) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL5254374 | 0.85 | TDP1 (0.48) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6684869 | 0.85 | CYP1A2 (0.48) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6683492 | 0.78 | SIGMAR1 (0.47) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL8375543 | 0.78 | MTNR1A (0.46) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL6680540 | 0.78 | SIGMAR1 (0.47) | TDP1CYP1A2CYP2C19CYP2C9CYP2D6 |
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 |