Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23660007 | 0.90 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL23658604 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL24079024 | 0.86 | APP (0.47) | ALDH1A1CYP3A4HSD17B10HPGDNQO2 | |
| SCHEMBL20204539 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL25568868 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL30800493 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL19849888 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL24079122 | 0.83 | CA12 (0.45) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL24055881 | 0.82 | HPRT1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 | |
| SCHEMBL17701124 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HSD17B10HPGDCYP1B1 |
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-2021238622-A1 | COMPOUND AND APPLICATION THEREOF | 广东阿格蕾雅光电材料有限公司 | 2021-12-02 | — | — | WO | disclosed |