Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL13067433 | 0.82 | CYP1A2 (0.46) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL3397380 | 0.80 | CYP1A2 (0.44) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL13027262 | 0.79 | CYP1A2 (0.41) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL29153604 | 0.78 | CYP1A2 (0.47) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL862161 | 0.78 | ALDH1A1 (0.56) | CYP1A2CYP3A4CA12CA1CA2 | |
| SCHEMBL28760720 | 0.77 | CYP1A2 (0.46) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL4713704 | 0.76 | CYP1A2 (0.41) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL13027338 | 0.75 | CYP1A2 (0.38) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL15672395 | 0.74 | CYP1A2 (0.44) | CYP1A2APLNRCYP3A4CA12CA1 | |
| SCHEMBL25554478 | 0.74 | ALOX5 (0.52) | CYP1A2HTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1934201-A1 | DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES | Auspex Pharmaceuticals Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| EP-1778702-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2007041630-A1 | DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES | AUSPEX PHARMACEUTICALS, INC. (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2006020276-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-02-23 | — | — | WO | disclosed |