Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5508321 | 0.94 | CYP1A2 (0.35) | CYP1A2HPGDEPHX1KDM4EALDH1A1 | |
| SCHEMBL5508317 | 0.94 | CYP1A2 (0.35) | CYP1A2HPGDEPHX1KDM4EALDH1A1 | |
| SCHEMBL23015871 | 0.85 | CYP1A2 (0.42) | CYP1A2HPGDEPHX1KDM4EALDH1A1 | |
| SCHEMBL24092216 | 0.79 | EPHX1 (0.35) | CYP1A2HPGDEPHX1KDM4EALDH1A1 | |
| SCHEMBL22899956 | 0.79 | EPHX1 (0.35) | CYP1A2HPGDEPHX1KDM4EALDH1A1 | |
| SCHEMBL29065443 | 0.78 | CYP1A2 (0.52) | CYP1A2SIGMAR1 | |
| SCHEMBL17150880 | 0.77 | ADH1B (0.31) | — | |
| SCHEMBL20048886 | 0.77 | ADH1B (0.31) | — | |
| SCHEMBL18876633 | 0.77 | ADH1B (0.31) | — | |
| SCHEMBL26443047 | 0.77 | ADH1B (0.31) | — |
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-3237385-B1 | MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER | US HEALTH (US) | 2021-11-24 | — | — | EP | disclosed |