Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19660438 | 0.85 | CYP2A6 (0.44) | CYP1A2CYP2A6ALDH1A1CYP19A1LMNA | |
| SCHEMBL11319820 | 0.82 | KDM4E (0.40) | CYP1A2CYP2A6PDCD1CD274CYP19A1 | |
| SCHEMBL8404557 | 0.77 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1TSHRCYP11B1 | |
| SCHEMBL19660439 | 0.77 | EGLN1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CASP1 | |
| SCHEMBL21237270 | 0.77 | CA2 (0.39) | CYP1A2ALDH1A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL19660415 | 0.76 | HASPIN (0.36) | CYP1A2ALDH1A1CYP19A1MEN1KMT2A | |
| SCHEMBL18495615 | 0.76 | KMT2A (0.40) | CYP1A2CYP2A6ALDH1A1PDCD1CD274 | |
| SCHEMBL13765864 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL19663002 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL19953988 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1TSHRCYP11B1 |
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 |