Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29449578 | 1.00 | HPGD (0.58) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL21473594 | 0.83 | HPGD (0.65) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL22997080 | 0.83 | HPGD (0.65) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL5851278 | 0.76 | HPGD (0.69) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL21275558 | 0.76 | LOXL2 (0.62) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL23424732 | 0.76 | HPGD (0.59) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL2146969 | 0.76 | LOXL2 (0.66) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL62420 | 0.76 | LOXL2 (0.66) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL10857871 | 0.75 | HPGD (0.67) | HPGDLOXL2MAPK1TSHRGAA | |
| SCHEMBL9675088 | 0.74 | LOXL2 (0.64) | HPGDLOXL2MAPK1TSHRGAA |
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-110003102-B | (R) -2- (alpha-deuterium-alpha-alkyl-alpha-aromatic) nitrogen heteroaryl compound and preparation method and application thereof | 河南师范大学 | 2022-03-22 | — | — | CN | disclosed |