Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.38 |
| ▸ | HSD17B14 | Q9BPX1 | 4/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30074603 | 1.00 | ESR1 (0.38) | ESR1ESR2HSD17B14CA3CA6 | |
| SCHEMBL29281202 | 0.84 | BACE1 (0.36) | KDM4EALDH1A1BACE1HPGD | |
| SCHEMBL25284715 | 0.84 | KDM4E (0.38) | ESR1ESR2CA9KDM4EALDH1A1 | |
| SCHEMBL3967647 | 0.80 | TSHR (0.41) | ESR1ESR2KDM4EALDH1A1GLA | |
| SCHEMBL3972295 | 0.77 | MBNL1 (0.38) | KDM4EALDH1A1BACE1 | |
| SCHEMBL23797346 | 0.77 | BACE1 (0.33) | BACE1 | |
| SCHEMBL25911642 | 0.77 | ALDH1A1 (0.41) | ESR2KDM4EALDH1A1GLAFGFR1 | |
| SCHEMBL30908546 | 0.73 | ALDH1A1 (0.41) | KDM4EALDH1A1BACE1 | |
| SCHEMBL3974454 | 0.73 | ALDH1A1 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL622672 | 0.71 | ALDH1A1 (0.50) | ESR1ESR2KDM4EALDH1A1HPGD |
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-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |