Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.43 |
| ▸ | MMP13 | P45452 | 5/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4100013 | 0.81 | STS (0.69) | STSP2RY12MMP13MMP1MAPT | |
| SCHEMBL1168528 | 0.80 | STS (0.44) | STSPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22089492 | 0.78 | STS (0.57) | STSPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22115155 | 0.78 | STS (0.40) | STSCYP2C9MMP13MAPTNTRK1 | |
| SCHEMBL22115699 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22089522 | 0.77 | STS (0.55) | STSCYP3A4MMP13 | |
| SCHEMBL28079459 | 0.75 | PSEN1 (0.52) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL22115318 | 0.73 | STS (0.55) | STSCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1563895 | 0.73 | ALDH1A1 (0.54) | STSPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1668225 | 0.72 | MEN1 (0.44) | STSMAPTALDH1A1 |
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 |