Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23217965 | 0.92 | MPO (0.58) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL27101979 | 0.86 | MPO (0.57) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23225719 | 0.85 | MPO (0.56) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL27103736 | 0.85 | MPO (0.53) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23217981 | 0.84 | MPO (0.52) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23225611 | 0.84 | MPO (0.52) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23225599 | 0.84 | MPO (0.54) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL27101983 | 0.83 | MPO (0.51) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL27103746 | 0.83 | MPO (0.46) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL28959839 | 0.82 | MPO (0.60) | MPOOPRM1ALDH1A1CYP1A2CYP2C19 |
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-115403584-A | 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-29 | — | — | CN | disclosed |