Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL989764 | 0.77 | TRPA1 (0.38) | CYP2A6ALDH1A1TDP1CYP3A4CYP2C9 | |
| SCHEMBL2986922 | 0.72 | KDM4E (0.40) | ALDH1A1TP53TDP1GAACYP1A2 | |
| SCHEMBL9694930 | 0.72 | TRPA1 (0.37) | CYP2A6ALDH1A1TDP1CYP2C19CYP1A2 | |
| SCHEMBL28634226 | 0.71 | TRPA1 (0.38) | ALDH1A1TDP1CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL9462988 | 0.71 | RAPGEF4 (0.39) | CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL10950619 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TDP1GAACYP3A4CYP2C19 | |
| SCHEMBL2328588 | 0.68 | ESR1 (0.33) | — | |
| SCHEMBL10953774 | 0.68 | NUDT1 (0.30) | — | |
| SCHEMBL9230899 | 0.67 | MEN1 (0.41) | ALDH1A1TP53TDP1GAAHTT | |
| SCHEMBL29249732 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7285971-A | — | — | None | — | — | JP | disclosed |
| JP-H07285971-A | SILYL HETEROCYCLIC FUNGICIDE | ROHM & HAAS CO | 1995-10-31 | — | — | JP | disclosed |
| US-5451563-A | Agricultural use, wheat, rice, tomatoes, pyridine, pyrimidine, pyrazine, pyridazine derivatives | ROHM AND HAAS COMPANY (US) | 1995-09-19 | — | — | US | disclosed |