Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | FADS1 | O60427 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6696006 | 0.89 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HSD17B10HPGDMAPK14 | |
| SCHEMBL13183594 | 0.84 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL12393968 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDMAPK14 | |
| SCHEMBL6696444 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL557025 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP3A4HSD17B10HPGDMAPK14 | |
| SCHEMBL29365372 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP3A4HSD17B10HPGDMAPK14 | |
| SCHEMBL15273014 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL27387800 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HSD17B10HPGDMAPK14 | |
| SCHEMBL20717967 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL4171779 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HSD17B10HPGDMAPK14 |
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-2019115423-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-06-20 | — | — | WO | disclosed |