Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 2/20 | 0.48 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22115668 | 0.88 | STS (0.61) | STSALDH1A1SMN1; SMN2SLC13A5KMT2A | |
| SCHEMBL22115188 | 0.86 | F10 (0.47) | STSP2RY12CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL1967952 | 0.86 | STS (0.58) | STSP2RY12CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL22115631 | 0.85 | P2RY12 (0.45) | STSP2RY12CYP3A4CYP2C9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4875114 | 0.85 | STS (0.57) | STSP2RY12CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL22089515 | 0.83 | F10 (0.49) | STSALDH1A1SMN1; SMN2EPHX2 | |
| SCHEMBL28427330 | 0.78 | STS (0.53) | STSP2RY12CYP3A4CYP2C9KMT2A | |
| SCHEMBL22089535 | 0.78 | STS (0.53) | STSP2RY12CYP3A4CYP2C9KMT2A | |
| SCHEMBL172079 | 0.77 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2SLC13A5HPGDMAPT | |
| Hydrochloric Acid SCHEMBL30164247 | 0.76 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2SLC13A5HPGDMAPT |
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 |