Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ATP4A | P20648 | 2/20 | 0.38 |
| ▸ | ATP4B | P51164 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 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 | |
|---|---|---|---|---|
| SCHEMBL21783630 | 0.79 | IDO1 (0.53) | CYP1A2ALDH1A1IDO1KDM4EHPGD | |
| SCHEMBL21783631 | 0.78 | ATP4A (0.38) | CYP1A2ALDH1A1ATP4AATP4BIDO1 | |
| SCHEMBL8404557 | 0.77 | CYP1A2 (0.62) | CYP2A6CYP1A2ALDH1A1HPGD | |
| SCHEMBL9005269 | 0.77 | CYP2A6 (0.62) | CYP2A6CYP1A2ALDH1A1IDO1NQO2 | |
| SCHEMBL21783690 | 0.77 | APP (0.38) | CYP1A2ALDH1A1KDM4EPDE10A | |
| SCHEMBL21237268 | 0.77 | CA2 (0.35) | CYP1A2ALDH1A1IDO1KDM4EHPGD | |
| SCHEMBL25836327 | 0.77 | CYP2C9 (0.37) | CYP1A2ALDH1A1KDM4EHPGDCYP19A1 | |
| SCHEMBL27264144 | 0.73 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1ATP4AATP4B | |
| SCHEMBL19660423 | 0.73 | MAOA (0.46) | CYP2A6CYP1A2ALDH1A1IDO1HPGD | |
| SCHEMBL13765864 | 0.72 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1HPGD |
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-3464286-B1 | PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | GENENTECH INC (US) | 2021-08-18 | — | — | EP | disclosed |
| WO-2017205538-A1 | PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | GENENTECH, INC. (US) | 2017-11-30 | — | — | WO | disclosed |