Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 10/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27490996 | 0.79 | HDAC3 (0.46) | ALDH1A1 | |
| SCHEMBL27798384 | 0.78 | DAO (0.50) | ALDH1A1MET | |
| SCHEMBL27501410 | 0.75 | CYP3A4 (0.44) | ALDH1A1MET | |
| SCHEMBL28382640 | 0.75 | PIN1 (0.32) | — | |
| SCHEMBL27737504 | 0.74 | CYP2A6 (0.35) | CYP2A6 | |
| SCHEMBL1272081 | 0.72 | ACP1 (0.43) | ACP1ALDH1A1MET | |
| SCHEMBL1272083 | 0.72 | ACP1 (0.43) | ACP1MET | |
| SCHEMBL29724101 | 0.72 | ALDH1A1 (0.49) | ACP1ALDH1A1CYP2A6 | |
| SCHEMBL28438167 | 0.72 | ACP1 (0.40) | ACP1ALDH1A1MET | |
| SCHEMBL10077023 | 0.72 | PARP1 (0.49) | ACP1ALDH1A1CYP2A6MET |
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 |
|---|---|---|---|---|---|---|---|
| CN-110475777-A | For treating and preventing new pyrido [2,3-b] benzazolyl compounds of bacterium infection | HOFFMANN LA ROCHE | 2019-11-19 | — | — | CN | disclosed |
| CN-109689654-A | 7-substituted 1-pyridyl-naphthyridine-3-carboxamides and their use | 拜耳医药股份有限公司 | 2019-04-26 | — | — | CN | disclosed |