Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10166462 | 0.79 | MAPK1 (0.41) | PI4KAPI4K2BPI4K2API4KBHTT | |
| SCHEMBL17457925 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP2E1CYP3A4GRM1CYP11B2 | |
| SCHEMBL2691172 | 0.74 | CYP2A6 (0.49) | CYP2A6CYP2E1CYP3A4GRM1CYP11B2 | |
| Hydrochloric Acid SCHEMBL25406612 | 0.73 | CYP2A6 (0.42) | CYP2A6CYP2E1CYP3A4CYP11B2PI4KA | |
| SCHEMBL25078673 | 0.73 | NPC1 (0.50) | CYP3A4HTTALDH1A1L3MBTL1 | |
| SCHEMBL24774169 | 0.71 | PCSK9 (0.41) | HTTALDH1A1 | |
| SCHEMBL24185394 | 0.71 | POLB (0.46) | L3MBTL1 | |
| SCHEMBL26643954 | 0.71 | NOS3 (0.44) | HTTPIK3CD | |
| SCHEMBL28538769 | 0.71 | P2RX7 (0.50) | CYP2A6CYP11B2ALDH1A1L3MBTL1 | |
| SCHEMBL15723543 | 0.71 | XDH (0.45) | CYP3A4HTTALDH1A1L3MBTL1ELANE |
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-107501274-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107501275-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |