Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL6684820 | 1.00 | SIGMAR1 (0.43) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 | |
| SCHEMBL6686393 | 1.00 | SIGMAR1 (0.43) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 | |
| SCHEMBL6682133 | 0.98 | SIGMAR1 (0.43) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 | |
| SCHEMBL6685047 | 0.93 | SIGMAR1 (0.44) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 | |
| SCHEMBL6684260 | 0.87 | SIGMAR1 (0.44) | SIGMAR1GPR84CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6681397 | 0.87 | SIGMAR1 (0.44) | SIGMAR1GPR84CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6686909 | 0.87 | SIGMAR1 (0.44) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 | |
| SCHEMBL6685433 | 0.87 | SIGMAR1 (0.44) | SIGMAR1GPR84CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6681464 | 0.87 | SIGMAR1 (0.44) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 | |
| SCHEMBL6682631 | 0.87 | SIGMAR1 (0.44) | SIGMAR1GPR84TDP1CYP1A2CYP2C19 |
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 |