Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MMP3 | P08254 | 1/20 | 0.56 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28085106 | 0.96 | ALDH1A1 (0.75) | ALDH1A1CYP2A6ALOX12TAAR1CYP1A2 | |
| Biphenyl SCHEMBL4091435 | 0.96 | ALDH1A1 (0.75) | ALDH1A1CYP2A6ALOX12TAAR1CYP1A2 | |
| Biphenyl SCHEMBL27924100 | 0.92 | ALDH1A1 (0.69) | ALDH1A1CYP2A6ALOX12TAAR1CYP1A2 | |
| Biphenyl SCHEMBL28102706 | 0.92 | ALDH1A1 (0.69) | ALDH1A1CYP2A6ALOX12TAAR1CYP1A2 | |
| Naphthalene SCHEMBL28354674 | 0.92 | ALDH1A1 (0.69) | ALDH1A1CYP2A6ALOX12TAAR1CYP1A2 | |
| Naphthalene SCHEMBL28628272 | 0.92 | CYP2A6 (0.73) | ALDH1A1CYP2A6ALOX12TAAR1CYP1A2 | |
| SCHEMBL1991754 | 0.88 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL827097 | 0.88 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL895675 | 0.88 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Tannin Pyrogallol SCHEMBL21448 | 0.88 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0504541-A1 | Improved catalytic process for selective alkylation of aromatic hydrocarbons | MONSANTO EUROPE S.A./N.V. (BE) | 1992-09-23 | — | — | EP | claimed |