Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | PPARG | P37231 | 1/20 | 0.59 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.59 |
| ▸ | STAT3 | P40763 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29908279 | 1.00 | HPGD (0.67) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL24072353 | 0.87 | CYP3A4 (0.81) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL30339046 | 0.87 | CYP3A4 (0.81) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL16073043 | 0.82 | NPC1 (0.66) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL3278951 | 0.80 | CYP1A2 (0.73) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL4756194 | 0.79 | HPGD (0.58) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL5206561 | 0.77 | CYP1A2 (1.00) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL4965128 | 0.76 | NPC1 (0.68) | HPGDCYP1A2ALOX15MAPK1NPC1 | |
| SCHEMBL16073054 | 0.76 | NPC1 (0.69) | HPGDCYP3A4ADORA2ACYP2C19CYP1A2 | |
| SCHEMBL4965216 | 0.76 | CYP1A2 (0.63) | HPGDCYP1A2ALOX15MAPK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022206084-A1 | USE OF THIAZOLE COMPOUND IN PREPARATION OF DRUG FOR TREATING AND PREVENTING CANCER | 北京大学 | 2022-10-06 | — | — | WO | disclosed |