Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.62 |
| ▸ | CES1 | P23141 | 4/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9256484 | 0.98 | CES2 (0.60) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL691536 | 0.78 | CES2 (0.62) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL17065191 | 0.78 | CES2 (0.62) | CES2CES1CA2SRD5A2GSK3B | |
| SCHEMBL273857 | 0.78 | CES2 (1.00) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL978677 | 0.77 | CES1 (0.60) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL17187850 | 0.77 | CES1 (0.60) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL1436220 | 0.77 | CES1 (0.60) | CES2CES1TSHRCA1CA2 | |
| Water SCHEMBL2542724 | 0.77 | CES2 (0.72) | CES2CES1TSHRSRD5A2GSK3B | |
| Water SCHEMBL3137210 | 0.76 | CES1 (0.58) | CES2CES1TSHRCA1CA2 | |
| SCHEMBL19371250 | 0.76 | CES1 (0.58) | CES2CES1ALOX15TSHRCA1 |
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-0736013-A1 | N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES | BAYER AG (DE) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017390-A1 | N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-06-29 | — | — | WO | disclosed |