Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7467239 | 0.90 | PTGDR2 (0.34) | — | |
| SCHEMBL7051566 | 0.89 | KDM4E (0.35) | — | |
| SCHEMBL7459566 | 0.87 | PTGDR2 (0.38) | CYP3A4 | |
| SCHEMBL8339745 | 0.87 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL7453077 | 0.85 | TRPM8 (0.33) | — | |
| SCHEMBL7459184 | 0.85 | BCHE (0.31) | — | |
| SCHEMBL7461736 | 0.85 | PTGDR2 (0.31) | — | |
| SCHEMBL7455498 | 0.84 | ALPL (0.33) | — | |
| SCHEMBL7462824 | 0.84 | TP53 (0.33) | SMN1; SMN2 | |
| SCHEMBL7458665 | 0.83 | — | — |
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-1999014216-A1 | SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |