Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CPS1 | P31327 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16518004 | 0.86 | CYP2D6 (0.40) | CYP1A1CYP1A2CYP1B1CYP2D6CHRM2 | |
| SCHEMBL17674729 | 0.83 | CYP1A2 (0.38) | CYP1A1CYP1A2CYP1B1CPS1PDE2A | |
| SCHEMBL5728527 | 0.81 | ALDH1A1 (0.38) | CYP2D6ALDH1A1GAANQO1KMT2A | |
| SCHEMBL8241491 | 0.80 | CA12 (0.45) | CYP1A1CYP1A2CYP1B1CYP2D6CPS1 | |
| SCHEMBL31063437 | 0.80 | CA12 (0.45) | CYP1A1CYP1A2CYP1B1CYP2D6CPS1 | |
| SCHEMBL3687105 | 0.79 | SLC6A4 (0.44) | CYP2D6ALDH1A1GAANQO1ADRA2A | |
| Ammonia Solution, Strong SCHEMBL7990378 | 0.78 | CYP1A2 (0.42) | CYP1A1CYP1A2CYP1B1CYP2D6CPS1 | |
| SCHEMBL23123470 | 0.77 | PDE2A (0.53) | CYP1A1CYP1A2CYP1B1CYP2D6CPS1 | |
| SCHEMBL2292153 | 0.77 | ADRA2A (0.45) | CYP1A1CYP1A2CYP1B1CYP2D6CPS1 | |
| SCHEMBL18119637 | 0.77 | CYP1A2 (0.41) | CYP1A1CYP1A2CYP1B1CYP2D6CPS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0255728-B1 | PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE | TANABE SEIYAKU CO., LTD. (JP) | 1991-11-27 | — | — | EP | disclosed |
| US-4866196-A | ANTICOAGULANTS | TANABE SEIYAKU CO., LTD. (JP) | 1989-09-12 | — | — | US | disclosed |
| EP-0255728-A2 | Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use | TANABE SEIYAKU CO., LTD. (JP) | 1988-02-10 | — | — | EP | disclosed |