Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL15437776 | 0.70 | GABBR2 (0.47) | CYP2C19MAPTCYP1A2CYP2D6DRD3 | |
| SCHEMBL7894538 | 0.70 | ALOX5 (0.39) | CYP2C19ALOX5MAPTCYP1A2CYP2D6 | |
| SCHEMBL353133 | 0.69 | TAAR1 (0.54) | CYP2C19ALOX5RAB9AALDH1A1CYP1A2 | |
| SCHEMBL5988113 | 0.69 | TAAR1 (0.54) | CYP2C19ALOX5RAB9AALDH1A1CYP1A2 | |
| SCHEMBL7857 | 0.69 | TAAR1 (0.54) | CYP2C19ALOX5RAB9AALDH1A1CYP1A2 | |
| SCHEMBL7773373 | 0.69 | MAPT (0.46) | CYP2C19ALOX5MAPTALDH1A1CYP1A2 | |
| SCHEMBL7899666 | 0.69 | CPA1 (0.42) | CYP2C19MAPTCYP1A2 | |
| Hydrochloric Acid SCHEMBL27791133 | 0.68 | TAAR1 (0.52) | CYP2C19ALOX5RAB9AALDH1A1CYP1A2 | |
| SCHEMBL2012876 | 0.68 | SLC6A2 (0.39) | ALDH1A1CYP2D6SLC6A3LMNA | |
| SCHEMBL5068915 | 0.68 | NR1H2 (0.52) | CYP2C19ALDH1A1CYP2D6PKMSLC6A3 |
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-1737471-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES | RND Pharmaceuticals (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005102358-A2 | SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS | RND PHARMACEUTICALS (US) | 2005-11-03 | — | — | WO | claimed |