Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.59 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.39 |
| ▸ | ODC1 | P11926 | 4/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13016686 | 0.94 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| 1'-Aminemethyl-11-Demethyl-12-Oxo-Calanolide A SCHEMBL13016848 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13261736 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016609 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016617 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016688 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016588 | 0.90 | CA12 (0.62) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016864 | 0.89 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016861 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL13016699 | 0.85 | APAF1 (0.55) | ALDH1A1CA12CA1CA2CA7 |
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-2216335-B1 | TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF | INST MATERIA MEDICA CAMS (CN) | 2014-03-12 | — | — | EP | disclosed |