Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 3/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | S100A9 | P06702 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL22115201 | 0.88 | STS (0.48) | STSCHRM1CHRM3KMT2ASLC13A5 | |
| SCHEMBL1967952 | 0.82 | STS (0.58) | STSKMT2AALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL4875114 | 0.81 | STS (0.57) | STSKMT2AALDH1A1CA1CA2 | |
| SCHEMBL22115188 | 0.80 | F10 (0.47) | STSSLC13A5SMN1; SMN2ALDH1A1 | |
| SCHEMBL22115631 | 0.78 | P2RY12 (0.45) | STSSMN1; SMN2ALDH1A1 | |
| SCHEMBL22089515 | 0.76 | F10 (0.49) | STSSMN1; SMN2ALDH1A1ACLY | |
| SCHEMBL22089534 | 0.76 | STS (1.00) | STSKMT2AENPP2 | |
| SCHEMBL22089535 | 0.74 | STS (0.53) | STSKMT2ACA1CA2 | |
| SCHEMBL28427330 | 0.74 | STS (0.53) | STSKMT2ACA1CA2 | |
| SCHEMBL22115669 | 0.73 | MEN1 (0.41) | STSCHRM1CHRM3MEN1KMT2A |
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-111303146-A | 3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-06-19 | — | — | CN | disclosed |
| WO-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |