Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA7 | P43166 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | APAF1 | O14727 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6628817 | 0.82 | ALDH1A1 (0.58) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL6652226 | 0.82 | ALDH1A1 (0.60) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL6628820 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL7103733 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL8927755 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL8927758 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL14220191 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL13062753 | 0.79 | ALDH1A1 (0.59) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL13261733 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL13016615 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPK1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5608085-A | Synthesis of optically active calanolides A and B and enantiomers and related compounds | THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) | 1997-03-04 | — | — | US | disclosed |