Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31176627 | 0.86 | L3MBTL1 (0.50) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL394192 | 0.85 | ALDH1A1 (0.49) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL18787628 | 0.85 | SYK (0.43) | SLC1A3SLC1A2SLC1A1MEN1CYP1A2 | |
| SCHEMBL18787653 | 0.85 | SYK (0.43) | SLC1A3SLC1A2SLC1A1MEN1CYP1A2 | |
| SCHEMBL18787627 | 0.85 | SYK (0.43) | SLC1A3SLC1A2SLC1A1MEN1CYP1A2 | |
| SCHEMBL2384186 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL584760 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL584761 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3394524 | 0.81 | SLC1A3 (0.47) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8827334 | 0.81 | SLC1A3 (0.47) | ALDH1A1LMNASLC1A3SLC1A2SLC1A1 |
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 |