Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | APAF1 | O14727 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 9/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 9/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SPR | P35270 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6652226 | 0.88 | ALDH1A1 (0.60) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL13062753 | 0.83 | ALDH1A1 (0.59) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL13261735 | 0.81 | ALDH1A1 (0.54) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL13016615 | 0.81 | ALDH1A1 (0.54) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL13261733 | 0.81 | ALDH1A1 (0.54) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL13016612 | 0.81 | ALDH1A1 (0.54) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL6628817 | 0.81 | ALDH1A1 (0.58) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL8926859 | 0.79 | ALDH1A1 (0.59) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL6630866 | 0.78 | CA12 (0.58) | ALDH1A1APAF1MAPK1NPSR1CA12 | |
| SCHEMBL8927758 | 0.78 | ALDH1A1 (0.53) | ALDH1A1APAF1MAPK1NPSR1CA12 |
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-1597263-B1 | PREPARATION OF A TRANS-CALANOLIDE KETONE INTERMEDIATE AND CHIRAL SEPARATION OF CALANOLIDE ALCOHOLS TO GIVE RACEMIC CALANOLIDE A | DOW GLOBAL TECHNOLOGIES INC (US) | 2008-04-23 | — | — | EP | disclosed |