Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16504003 | 0.85 | CYP1A2 (0.70) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL9898080 | 0.84 | HPGD (0.69) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL2565795 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL7056757 | 0.81 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL16506763 | 0.81 | NPSR1 (0.50) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL8053715 | 0.80 | CYP1A2 (0.68) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL11279116 | 0.79 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL23204027 | 0.78 | CYP1A2 (0.76) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL18125047 | 0.78 | CYP1A2 (0.70) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL4205954 | 0.78 | CYP1A2 (0.76) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115403584-B | 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| 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 |