Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | OGG1 | O15527 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL16136803 | 0.80 | DRD2 (0.42) | — | |
| SCHEMBL11091213 | 0.79 | ALDH1A1 (0.40) | HSD17B10RECQLESR1ESR2OGG1 | |
| SCHEMBL5469510 | 0.77 | HSD17B10 (0.45) | CASP1HSD17B10RECQLALOX15 | |
| SCHEMBL1141384 | 0.76 | CA1 (0.34) | CASP1HSD17B10ESR1ESR2CYP2A6 | |
| SCHEMBL29134450 | 0.75 | CA1 (0.33) | CASP1HSD17B10 | |
| SCHEMBL9451781 | 0.72 | CA1 (0.32) | CASP1HSD17B10 | |
| SCHEMBL15774978 | 0.69 | ESR1 (0.47) | RECQLESR1ESR2CYP2A6OGG1 | |
| SCHEMBL5476420 | 0.68 | KCNN4 (0.41) | CASP1HSD17B10 | |
| SCHEMBL5476864 | 0.68 | CTSK (0.41) | — | |
| SCHEMBL31634536 | 0.67 | KMT2A (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |