Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 5/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | IL17A | Q16552 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL28896603 | 0.88 | MPO (0.53) | MPOOPRM1ALDH1A1HSD17B10TSHR | |
| SCHEMBL28896664 | 0.81 | MPO (0.58) | MPOOPRM1ALDH1A1HSD17B10TSHR | |
| SCHEMBL14936876 | 0.73 | MPO (1.00) | MPOOPRM1ALDH1A1HSD17B10GAA | |
| SCHEMBL18557964 | 0.72 | MPO (0.66) | MPOOPRM1ALDH1A1HSD17B10TSHR | |
| SCHEMBL28896602 | 0.71 | MPO (0.65) | MPOOPRM1ALDH1A1HSD17B10TSHR | |
| Verdiperstat SCHEMBL1536607 | 0.70 | MPO (1.00) | MPOOPRM1 | |
| SCHEMBL28896613 | 0.69 | MPO (0.61) | MPOOPRM1ALDH1A1HSD17B10TSHR | |
| SCHEMBL14936467 | 0.69 | MPO (0.73) | MPOOPRM1ALDH1A1TSHRGAA | |
| SCHEMBL28959839 | 0.68 | MPO (0.60) | MPOOPRM1ALDH1A1HSD17B10TSHR | |
| SCHEMBL27101979 | 0.68 | MPO (0.57) | MPOOPRM1ALDH1A1HSD17B10TSHR |
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 |