Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | OGA | O60502 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29756094 | 0.86 | CYP1A2 (0.53) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL25085747 | 0.82 | CYP1A2 (0.53) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL2607479 | 0.82 | CYP1A2 (0.57) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL28012503 | 0.82 | CYP1A2 (0.52) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL20030197 | 0.79 | CYP1A2 (0.50) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL19688524 | 0.79 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL1253863 | 0.79 | CYP1A2 (0.53) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL23847796 | 0.79 | CYP1A2 (0.53) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL30239388 | 0.79 | CYP1A2 (0.53) | CYP1A2BIRC5PDGFRBPDGFRAMGAM | |
| SCHEMBL23773965 | 0.79 | CYP1A2 (0.53) | CYP1A2BIRC5PDGFRBPDGFRAMGAM |
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 |
|---|---|---|---|---|---|---|---|
| CN-106132951-B | quinoline-based kinase inhibitors | 百时美施贵宝公司 | 2019-02-12 | — | — | CN | disclosed |