Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9036660 | 0.88 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL9839868 | 0.86 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL320682 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL697102 | 0.82 | ALDH1A1 (0.36) | ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL28459203 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL5187604 | 0.80 | TSHR (0.37) | ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL4740050 | 0.80 | ALDH1A1 (0.40) | ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL22852158 | 0.78 | TSHR (0.38) | ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL16017754 | 0.77 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL8691486 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0721454-A1 | NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST | J. URIACH & CIA. S.A. (ES) | 1996-07-17 | — | — | EP | disclosed |