Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 13/20 | 0.63 |
| ▸ | WNT3A | P56704 | 12/20 | 0.63 |
| ▸ | TNKS | O95271 | 2/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22967317 | 0.88 | TNKS2 (0.67) | TNKS2WNT3ATNKSMAPK13GCGR | |
| SCHEMBL14153752 | 0.78 | SMPD3 (0.49) | TNKS2WNT3ATNKSMAPK13GCGR | |
| SCHEMBL28493033 | 0.77 | TNKS2 (1.00) | TNKS2WNT3ATNKSCYP1A1CYP1B1 | |
| SCHEMBL21198437 | 0.74 | TNKS2 (0.44) | TNKS2WNT3ATNKSMAPK13GCGR | |
| SCHEMBL21197837 | 0.71 | PDCD1 (0.51) | TNKS2WNT3ATNKSMAPK13GCGR | |
| SCHEMBL21217826 | 0.71 | TNKS2 (0.47) | TNKS2WNT3ATNKSMAPK13GCGR | |
| SCHEMBL21198436 | 0.68 | ADORA2B (0.40) | TNKS2WNT3AMAPK13GCGRMAPK12 | |
| SCHEMBL17981572 | 0.67 | SIRT1 (0.46) | TNKS2WNT3AMAPTALDH1A1 | |
| SCHEMBL19152720 | 0.66 | HAVCR2 (0.35) | TNKS2WNT3ATNKS | |
| SCHEMBL21198461 | 0.66 | BAZ2B (0.49) | TNKS2WNT3AMAPTBRD4 |
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-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 |
| CN-111655681-A | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 莱德克斯制药公共有限公司 | 2020-09-11 | — | — | CN | disclosed |