Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19660419 | 0.85 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1CYP19A1LMNA | |
| SCHEMBL19725752 | 0.84 | GABRA1 (0.41) | CYP1A2ALDH1A1GABRA1GABRB2ELANE | |
| SCHEMBL20012925 | 0.79 | NOS2 (0.41) | ALDH1A1GABRA1GABRB2LMNASMN1; SMN2 | |
| SCHEMBL8404557 | 0.77 | CYP1A2 (0.62) | CYP2A6CYP1A2ALDH1A1ELANEL3MBTL1 | |
| SCHEMBL599157 | 0.77 | CYP1A2 (0.62) | CYP2A6CYP1A2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL21237367 | 0.77 | GABRA1 (0.35) | ALDH1A1GABRA1GABRB2NLRP3LMNA | |
| SCHEMBL19660431 | 0.73 | KDM5A (0.37) | CYP2A6CYP1A2 | |
| SCHEMBL19663002 | 0.72 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL19953988 | 0.72 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1ELANEL3MBTL1 | |
| SCHEMBL13765864 | 0.72 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1 |
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 |