Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.39 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.39 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.39 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL903780 | 0.84 | ELANE (0.42) | ALDH1A1ELANECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL6682154 | 0.84 | ALDH1A1 (0.41) | ALDH1A1ELANECYP1A1CYP1B1 | |
| SCHEMBL27708870 | 0.82 | ALDH1A1 (0.55) | ALDH1A1ELANECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL28245392 | 0.80 | ALDH1A1 (0.52) | ALDH1A1ELANECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5897956 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL1742768 | 0.77 | AOC3 (0.50) | ALDH1A1CYP3A4CA1CA2CA7 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL40553 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL27606186 | 0.75 | ALDH1A1 (0.52) | ALDH1A1ELANECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL1162537 | 0.75 | ALDH1A1 (0.46) | ALDH1A1ELANECYP1A1CYP1B1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536585-B | Iminostilbene derivative and preparation method thereof | 中国医学科学院药用植物研究所 | 2024-04-30 | — | — | CN | claimed |
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |