Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 4/20 | 0.51 |
| ▸ | CDK2 | P24941 | 4/20 | 0.51 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.44 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17283670 | 0.78 | CCNA2 (0.69) | CCNA2CDK2CCNA1NPC1RAB9A | |
| SCHEMBL31590676 | 0.78 | KCNQ3 (0.54) | CCNA2CDK2CCNA1NPC1RAB9A | |
| SCHEMBL23608808 | 0.78 | RAB9A (0.39) | CDK2NPC1RAB9AADCY8KMT2A | |
| SCHEMBL63188 | 0.78 | NPC1 (0.52) | CCNA2CDK2CCNA1NPC1RAB9A | |
| SCHEMBL5008289 | 0.77 | CCNA2 (0.51) | CCNA2CDK2CCNA1NPC1RAB9A | |
| SCHEMBL22332363 | 0.77 | GSK3B (0.48) | CCNA2CDK2CCNA1CYP1A2ADORA3 | |
| SCHEMBL6566137 | 0.76 | ADORA1 (0.56) | CCNA2CDK2CCNA1NPC1RAB9A | |
| Benzoyl Chloride SCHEMBL4435271 | 0.74 | NPC1 (0.48) | CCNA2CDK2CCNA1NPC1RAB9A | |
| SCHEMBL2623108 | 0.74 | L3MBTL1 (0.61) | NPC1RAB9AADCY8ADCY1F2 | |
| SCHEMBL5867670 | 0.72 | CCNA2 (0.59) | CCNA2CDK2CCNA1NPC1RAB9A |
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-120040420-A | Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection | 中国医学科学院医药生物技术研究所 | 2025-05-27 | — | — | CN | disclosed |