Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 14/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 6/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2337932 | 0.86 | CYP2D6 (0.65) | CYP2D6CYP3A4ALDH1A1CYP1A2OPRM1 | |
| Hydrochloric Acid SCHEMBL2330314 | 0.84 | CYP2D6 (0.63) | CYP2D6CYP3A4ALDH1A1CYP1A2OPRM1 | |
| SCHEMBL2333908 | 0.82 | ATM (0.45) | CYP2D6CYP3A4ALDH1A1CYP1A2TSHR | |
| SCHEMBL27571753 | 0.78 | CYP2D6 (0.71) | CYP2D6ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL10565433 | 0.78 | CYP2D6 (0.55) | CYP2D6CYP3A4ALDH1A1TSHROPRM1 | |
| SCHEMBL9009194 | 0.75 | CYP2D6 (0.55) | CYP2D6CYP3A4ALDH1A1CYP1A2OPRM1 | |
| Hydrochloric Acid SCHEMBL2334345 | 0.73 | CYP2D6 (0.53) | CYP2D6CYP3A4ALDH1A1CYP1A2OPRM1 | |
| SCHEMBL10568119 | 0.71 | CYP2D6 (0.55) | CYP2D6ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL31493496 | 0.71 | CYP2D6 (0.55) | CYP2D6CYP3A4ALDH1A1CYP1A2TSHR | |
| SCHEMBL19049380 | 0.70 | KMT2A (0.73) | CYP2D6CYP3A4ALDH1A1CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358677-A1 | NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010055006-A1 | NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |