Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11683688 | 0.92 | CES2 (0.52) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL11683691 | 0.87 | CES2 (0.36) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL4893257 | 0.80 | CES2 (0.47) | CES1CES2 | |
| SCHEMBL4283092 | 0.78 | — | — | |
| SCHEMBL10627704 | 0.78 | CA2 (0.36) | CES1CES2ALDH1A1CA1TSHR | |
| SCHEMBL9234119 | 0.77 | CES2 (0.48) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL3695983 | 0.77 | CES1 (0.43) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL23130427 | 0.76 | KMT2A (0.41) | ALDH1A1TSHR | |
| SCHEMBL16536175 | 0.76 | — | — | |
| SCHEMBL6428771 | 0.75 | CES2 (0.50) | CES1CES2ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |