Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24021272 | 0.86 | ALDH1A1 (0.49) | ALDH1A1PPARGPPARDPPARAALOX5 | |
| SCHEMBL5598123 | 0.83 | TTR (0.54) | ALDH1A1PPARGPPARDPPARATTR | |
| SCHEMBL30776597 | 0.83 | TTR (0.54) | ALDH1A1PPARGPPARDPPARATTR | |
| SCHEMBL5504133 | 0.83 | ALDH1A1 (0.43) | ALDH1A1GABRA1GABRB2 | |
| SCHEMBL4615833 | 0.82 | AKT1 (0.45) | ALDH1A1PPARGPPARDPPARAALOX5 | |
| SCHEMBL6141100 | 0.81 | ALDH1A1 (0.56) | ALDH1A1PPARGPPARDPPARAALOX5 | |
| SCHEMBL5509230 | 0.81 | MAPT (0.46) | ALDH1A1GABRA1GABRB2CNR2PKM | |
| SCHEMBL557409 | 0.80 | ALDH1A1 (0.69) | ALDH1A1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL30644304 | 0.80 | ALDH1A1 (0.69) | ALDH1A1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL31422467 | 0.79 | HSD17B10 (0.62) | ALDH1A1PPARGPPARDPPARAALOX5 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303875-A2 | COMPOSITIONS WITH AND PROCESS FOR METHYLMORPHOLIN-SUBSITUTED PYRIDO[2,3-D]PYRIMIDINES | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | disclosed |
| WO-2009153597-A2 | COMPOSITION AND PROCESS - 356 | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | WO | disclosed |
| EP-1784182-A1 | 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2007-05-16 | — | — | EP | disclosed |
| EP-1670802-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | Conforma Therapeutic Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2006021418-A1 | 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-02 | — | — | WO | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1276726-A2 | SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS | Abbott Laboratories (US) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001081316-A2 | SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS | ABBOTT LABORATORIES (US) | 2001-11-01 | — | — | WO | disclosed |