Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NRP1 | O14786 | 1/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 5/20 | 0.39 |
| ▸ | BCR | P11274 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 4/20 | 0.38 |
| ▸ | FLT3 | P36888 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL29967800 | 1.00 | NPC1 (0.40) | NPC1RAB9ANRP1UTS2RABL1 | |
| SCHEMBL28957397 | 0.89 | NR1H4 (0.46) | NPC1RAB9AABL1BCRKIT | |
| SCHEMBL29967977 | 0.89 | NR1H4 (0.46) | NPC1RAB9AABL1BCRKIT | |
| SCHEMBL29967985 | 0.87 | NR1H4 (0.45) | NPC1RAB9AABL1BCRKIT | |
| SCHEMBL28871266 | 0.87 | NR1H4 (0.45) | NPC1RAB9AABL1BCRKIT | |
| SCHEMBL28871240 | 0.85 | CA1 (0.47) | NPC1RAB9AABL1BCRKMT2A | |
| SCHEMBL29968041 | 0.84 | CDK4 (0.46) | ABL1BCRKITFLT3KDR | |
| SCHEMBL28871242 | 0.84 | CDK4 (0.46) | ABL1BCRKITFLT3KDR | |
| SCHEMBL29967967 | 0.81 | KDR (0.44) | NPC1RAB9AABL1BCRKMT2A | |
| SCHEMBL28871261 | 0.81 | ABL1 (0.43) | ABL1BCRKITFLT3KDR |
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-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |