Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28279999 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTCYP3A4CYP2C19 | |
| SCHEMBL25284715 | 0.84 | KDM4E (0.38) | ALDH1A1KDM4EMAPTHPGDCYP3A4 | |
| SCHEMBL3967647 | 0.80 | TSHR (0.41) | ALDH1A1KDM4EHPGDCYP3A4HSD17B10 | |
| SCHEMBL244724 | 0.80 | CYP1A2 (0.52) | ALDH1A1KDM4EMAPTHPGDCYP3A4 | |
| SCHEMBL30908546 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP3A4CYP2C19HIF1A | |
| SCHEMBL25911368 | 0.77 | ESR1 (0.38) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL30074603 | 0.77 | ESR1 (0.38) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL30908324 | 0.74 | NQO2 (0.44) | ALDH1A1KDM4EMAPTG6PDPKM | |
| SCHEMBL24638081 | 0.74 | TUBB4A (0.42) | ALDH1A1KDM4EMAPTHPGDCYP3A4 | |
| SCHEMBL3972295 | 0.73 | MBNL1 (0.38) | ALDH1A1KDM4EMAPTCYP3A4CYP2C19 |
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 |