Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 6/20 | 0.53 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22115171 | 0.87 | STS (0.60) | STSPTPN2PTPN1PTPN6KMT2A | |
| SCHEMBL22115157 | 0.87 | STS (0.64) | STSPTPN2PTPN1PTPN6KMT2A | |
| SCHEMBL22115696 | 0.82 | STS (0.58) | STSPTPN2PTPN1PTPN6GPR119 | |
| SCHEMBL22089514 | 0.80 | STS (0.77) | STSPTPN2PTPN1PTPN6KMT2A | |
| SCHEMBL29716354 | 0.80 | PTPN2 (0.77) | STSPTPN2PTPN1PTPN6KMT2A | |
| SCHEMBL311411 | 0.80 | KMT2A (0.55) | STSPTPN2PTPN1PTPN6KMT2A | |
| SCHEMBL16112715 | 0.78 | TGFBR1 (0.54) | STSMAPTTGFBR1GPR119KDM4E | |
| SCHEMBL20015404 | 0.78 | MAOB (0.54) | STSMAPTTGFBR1GPR119KDM4E | |
| SCHEMBL4242260 | 0.77 | HSD11B1 (0.62) | STSPTPN2PTPN1PTPN6KMT2A | |
| SCHEMBL22115170 | 0.77 | STS (0.51) | STSPTPN2PTPN1PTPN6GPR119 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |