Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18074293 | 1.00 | CYP2C19 (0.35) | CYP2C19TSHRCYP2C9MTORHRH4 | |
| SCHEMBL28373091 | 0.83 | MAPK8 (0.37) | CYP2C19TSHRCYP2C9MTORHRH4 | |
| SCHEMBL1045230 | 0.74 | CYP2C9 (0.36) | CYP2C19TSHRCYP2C9MTORHRH4 | |
| SCHEMBL8472358 | 0.73 | CYP2C9 (0.39) | CYP2C19TSHRCYP2C9MTORHRH4 | |
| SCHEMBL18074299 | 0.71 | KDM4E (0.36) | CYP2C19TSHRTDP1HIF1AKDM4E | |
| SCHEMBL28368784 | 0.71 | KDM4E (0.36) | CYP2C19TSHRTDP1HIF1AKDM4E | |
| SCHEMBL12928753 | 0.70 | CYP2C9 (0.36) | CYP2C19TSHRCYP2C9MTORHRH4 | |
| SCHEMBL18074340 | 0.70 | CYP2C19 (0.38) | CYP2C19TSHRHIF1AKDM4EHMGCR | |
| SCHEMBL18074328 | 0.70 | ALDH1A1 (0.39) | CYP2C19HIF1AKDM4EALDH1A1 | |
| SCHEMBL25015250 | 0.70 | CYP2C9 (0.38) | CYP2C19TSHRCYP2C9MTORHRH4 |
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-107207481-B | 3- (4-ethynylphenyl) hexahydropyrimidine-2, 4-dione derivatives as modulators of MGLUR4 | 豪夫迈·罗氏有限公司 | 2020-03-03 | — | — | CN | disclosed |