Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 3/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11472420 | 0.85 | ALDH1A1 (0.38) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL10566588 | 0.85 | CYP1A2 (0.38) | HTR1BAOC3CYP1A2CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10433750 | 0.81 | ALDH1A1 (0.42) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL11214387 | 0.80 | ALDH1A1 (0.47) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL29061989 | 0.80 | ALDH1A1 (0.47) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL27758162 | 0.80 | ALDH1A1 (0.41) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL27833706 | 0.77 | CYP2C9 (0.41) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL18860719 | 0.76 | HTR1B (0.45) | HTR1BAOC3CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL11549316 | 0.76 | ALDH1A1 (0.43) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL8344860 | 0.76 | CYP2C9 (0.40) | AOC3CYP1A2CYP2C19ALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5089251-A | AROMATIC DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS | SANOFI (FR) | 1992-02-18 | — | — | US | disclosed |
| US-4916156-A | ANTISEPTIC OR PRESERVATIVES IN PHARMACY, COSMETOLOGY OR FOOD STUFF | SANOFI (FR) | 1990-04-10 | — | — | US | disclosed |