Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL19403253 | 1.00 | CYP1A2 (0.32) | CYP1A2CYP2C19ATMRAB9A | |
| SCHEMBL12456245 | 0.79 | PAK4 (0.35) | CYP1A2CYP2C19 | |
| SCHEMBL13645677 | 0.77 | COMT (0.32) | CYP1A2CYP2C19 | |
| SCHEMBL13295543 | 0.77 | CYP1A2 (0.31) | CYP1A2CYP2C19 | |
| SCHEMBL23869550 | 0.75 | CYP1A2 (0.30) | CYP1A2CYP2C19 | |
| SCHEMBL20934269 | 0.75 | CYP1A2 (0.30) | CYP1A2CYP2C19 | |
| SCHEMBL5697417 | 0.73 | BRAF (0.31) | — | |
| Hydrochloric Acid SCHEMBL19384651 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL19403242 | 0.73 | — | — | |
| SCHEMBL19403283 | 0.73 | — | — |
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-2017162611-A1 | QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2017-09-28 | — | — | WO | disclosed |