Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | STS | P08842 | 2/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8327043 | 0.90 | CYP19A1 (0.45) | CYP19A1KDM1ASTS | |
| SCHEMBL8329384 | 0.87 | CYP19A1 (0.43) | CYP19A1CYP11B1CYP11B2STS | |
| SCHEMBL8327987 | 0.84 | CYP19A1 (0.42) | CYP19A1CYP11B1CYP11B2STS | |
| SCHEMBL8328066 | 0.84 | CYP19A1 (0.44) | CYP19A1CYP11B1CYP11B2STS | |
| SCHEMBL8323103 | 0.83 | ESR1 (0.49) | CYP19A1KDM1ACYP11B1CYP11B2 | |
| SCHEMBL6063814 | 0.82 | CYP19A1 (0.38) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8323116 | 0.82 | CYP19A1 (0.39) | CYP19A1KDM1ASTS | |
| SCHEMBL27287580 | 0.81 | CYP11B1 (0.44) | CYP19A1CYP11B1CYP11B2STS | |
| SCHEMBL8322680 | 0.80 | CYP19A1 (0.45) | CYP19A1STS | |
| SCHEMBL8327702 | 0.80 | CYP19A1 (0.36) | CYP19A1CYP11B1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113387894-A | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2021-09-14 | — | — | CN | claimed |
| CN-113387894-B | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2023-02-24 | — | — | CN | disclosed |
| CN-113387894-A | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2021-09-14 | — | — | CN | disclosed |