Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Gimeracil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.42 |
| ▸ | TSHR | P16473 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Gimeracil SCHEMBL124438 | 0.97 | — | — | |
| Gimeracil SCHEMBL30536932 | 0.95 | HSD17B10 (0.42) | HSD17B10TSHRHPGDCYP3A4ALDH1A1 | |
| SCHEMBL911633 | 0.79 | — | — | |
| SCHEMBL1425056 | 0.77 | — | — | |
| SCHEMBL30014014 | 0.77 | — | — | |
| SCHEMBL28307383 | 0.74 | HPGD (0.33) | HSD17B10TSHRHPGD | |
| SCHEMBL7902960 | 0.73 | — | — | |
| SCHEMBL16033479 | 0.73 | — | — | |
| SCHEMBL20532547 | 0.73 | — | — | |
| SCHEMBL26287511 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113906040-B | Compounds for the treatment of cancer | 拓臻制药公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-117715636-A | Pharmaceutical composition comprising POH derivatives | 南加利福尼亚大学 | 2024-03-15 | — | — | CN | disclosed |
| CN-116600816-A | Combination of POH and adefovir for treatment of CNS infections | 尼昂克技术公司 | 2023-08-15 | — | — | CN | disclosed |