Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3366418 | 0.80 | ADORA2A (0.56) | ADORA2AADORA1LRRK2ALDH1A1MAPT | |
| SCHEMBL27787004 | 0.78 | PGR (0.44) | ADORA2AADORA1ALDH1A1NPSR1GAA | |
| SCHEMBL28276978 | 0.77 | CYP3A4 (0.52) | ALDH1A1HPGDSMN1; SMN2TSHRHTT | |
| SCHEMBL28275793 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1LRRK2ALDH1A1NPSR1 | |
| SCHEMBL1334325 | 0.74 | ADORA1 (0.58) | ADORA2AADORA1 | |
| SCHEMBL30242514 | 0.74 | ADORA2A (0.56) | ADORA2AADORA1ALDH1A1NPSR1GAA | |
| SCHEMBL4335673 | 0.73 | DHFR (0.56) | ADORA2AADORA1LRRK2ALDH1A1MAPT | |
| SCHEMBL27964932 | 0.73 | ADORA2A (0.61) | ADORA2AADORA1ALDH1A1MAPTHPGD | |
| SCHEMBL28096937 | 0.73 | FEN1 (0.44) | ADORA2AADORA1 | |
| SCHEMBL3362920 | 0.72 | PTPN1 (0.52) | ADORA2AADORA1ALDH1A1TSHRHSD17B10 |
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-105884695-A | Heterocyclic derivate tyrosine kinase inhibitor | 山东轩竹医药科技有限公司 | 2016-08-24 | — | — | CN | disclosed |