Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10031172 | 0.91 | CYP2A6 (0.58) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL10031169 | 0.90 | CYP2A6 (0.62) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL2462770 | 0.90 | CYP2A6 (0.67) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL13798935 | 0.89 | CYP2A6 (0.49) | CYP2A6PDGFRBPDGFRAGRM5KDM4E | |
| Hydrochloric Acid SCHEMBL6004892 | 0.88 | CYP2A6 (0.64) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL14297290 | 0.87 | CYP2A6 (0.59) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL12068485 | 0.86 | CYP2A6 (0.62) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL19020246 | 0.86 | KDM4E (0.52) | CYP2A6PDGFRBPDGFRAGRM5KDM4E | |
| SCHEMBL12068481 | 0.86 | KDM4E (0.52) | CYP2A6PDGFRBPDGFRAGRM5KDM4E | |
| SCHEMBL13798930 | 0.86 | CYP2A6 (0.50) | CYP2A6PDGFRBPDGFRAGRM5KDM4E |
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-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | disclosed |