Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 6/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21951022 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL21951042 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL30003813 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL21951028 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL21950992 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL1020499 | 0.75 | MCL1 (0.56) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL10871054 | 0.70 | HPGD (0.50) | ALDH1A1HPGDMAPK1MTNR1AMTNR1B | |
| SCHEMBL10871694 | 0.70 | HPGD (0.66) | ALDH1A1HPGDMAPK1MTNR1AMTNR1B | |
| SCHEMBL1136650 | 0.70 | HPGD (0.58) | ALDH1A1CYP3A4HPGDMAPK1MAOB | |
| SCHEMBL2480562 | 0.69 | NR1H2 (0.44) | CYP3A4MAOBALOX15MAOACA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3653613-B1 | 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF | BEBETTER MED INC (CN) | 2022-11-16 | — | — | EP | disclosed |