Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.61 |
| ▸ | ESR1 | P03372 | 5/20 | 0.61 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.59 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.59 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.58 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.53 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | CDK7 | P50613 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28191731 | 0.92 | PRKCZ (0.68) | ESR2ESR1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL444504 | 0.86 | PRKCZ (0.63) | CYP11B1CYP11B2CYP19A1PRKCZCYP17A1 | |
| SCHEMBL276041 | 0.84 | CYP19A1 (0.56) | ESR2ESR1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL6355545 | 0.82 | CYP11B2 (0.61) | ESR2ESR1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL23555375 | 0.81 | PRKCZ (0.58) | CYP11B1CYP11B2CYP19A1PRKCZCYP17A1 | |
| SCHEMBL29449786 | 0.81 | CYP11B1 (0.59) | CYP11B1CYP11B2CYP19A1PRKCZCYP17A1 | |
| SCHEMBL28933997 | 0.81 | CYP11B1 (0.59) | CYP11B1CYP11B2CYP19A1PRKCZCYP17A1 | |
| SCHEMBL8338721 | 0.81 | PRKCZ (0.58) | CYP11B1CYP11B2CYP19A1PRKCZCYP17A1 | |
| SCHEMBL17691836 | 0.80 | PRKCZ (0.56) | CYP11B1CYP11B2CYP19A1PRKCZCYP17A1 | |
| SCHEMBL18891280 | 0.80 | CYP11B1 (0.69) | ESR2ESR1CYP11B1CYP11B2CYP19A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105636953-B | 1,4 dibasic pyridyl derivatives and its purposes for treating the illness related to SMN shortages | 诺华股份有限公司 | 2018-01-02 | — | — | CN | claimed |
| CN-105636953-B | 1,4 dibasic pyridyl derivatives and its purposes for treating the illness related to SMN shortages | 诺华股份有限公司 | 2018-01-02 | — | — | CN | disclosed |
| EP-0528369-B1 | Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation | BOEHRINGER INGELHEIM PHARMA (DE) | 1999-11-24 | — | — | EP | disclosed |
| US-5455348-A | Anticoagulants | Thomae, Karl (DE) | 1995-10-03 | — | — | US | disclosed |
| EP-0528369-A2 | Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1993-02-24 | — | — | EP | disclosed |