Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 6/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11079561 | 0.75 | BCAT2 (0.46) | DPP4BCAT2CSNK1A1TYRO3DYRK1B | |
| SCHEMBL997870 | 0.74 | CSNK1A1 (0.57) | BCAT2CSNK1A1TYRO3DYRK1BKDM4E | |
| SCHEMBL31227695 | 0.74 | CSNK1A1 (0.57) | BCAT2CSNK1A1TYRO3DYRK1BKDM4E | |
| SCHEMBL30964842 | 0.74 | BCAT2 (0.53) | DPP4BCAT2CSNK1A1TYRO3DYRK1B | |
| SCHEMBL1380693 | 0.74 | BCAT2 (0.53) | DPP4BCAT2CSNK1A1TYRO3DYRK1B | |
| SCHEMBL30823708 | 0.74 | HCRTR1 (0.41) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL11908649 | 0.74 | HCRTR2 (0.70) | HCRTR1HCRTR2 | |
| SCHEMBL31280858 | 0.72 | TYK2 (0.40) | HCRTR1HCRTR2CSNK1A1DYRK1B | |
| SCHEMBL210767 | 0.71 | BCAT2 (0.74) | BCAT2CSNK1A1TYRO3DYRK1BKDM4E | |
| SCHEMBL30514077 | 0.71 | BCAT2 (0.74) | BCAT2CSNK1A1TYRO3DYRK1BKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |