Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tannin Pyrogallol SCHEMBL28557820 | 0.90 | ALDH1A1 (0.56) | CYP2E1CYP2A6CYP2B6ALDH1A1CYP3A4 | |
| Biphenyl SCHEMBL8068963 | 0.86 | ALDH1A1 (0.60) | CYP2E1CYP2A6CYP2B6ALDH1A1CYP3A4 | |
| Biphenyl SCHEMBL16872437 | 0.86 | ALDH1A1 (0.60) | CYP2E1CYP2A6CYP2B6ALDH1A1CYP3A4 | |
| Biphenyl SCHEMBL15656401 | 0.86 | ALDH1A1 (0.60) | CYP2E1CYP2A6CYP2B6ALDH1A1CYP3A4 | |
| Benzidine SCHEMBL9812927 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TP53CYP1A2 | |
| Thiophene SCHEMBL27514433 | 0.83 | ALDH1A1 (0.56) | CYP2E1CYP2A6CYP2B6ALDH1A1CYP3A4 | |
| Thiophene SCHEMBL27757987 | 0.79 | — | — | |
| Thiophene SCHEMBL7642100 | 0.79 | — | — | |
| Thiophene SCHEMBL225198 | 0.78 | — | — | |
| Thiophene SCHEMBL243 | 0.78 | — | — |
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-0690074-B1 | Photopolymerization initiator composition and photopolymerizable composition | TOYO INK MFG CO (JP) | 1998-09-02 | — | — | EP | disclosed |