Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CA12 | O43570 | 3/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.63 |
| ▸ | CA7 | P43166 | 3/20 | 0.63 |
| ▸ | CA9 | Q16790 | 3/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.63 |
| ▸ | APAF1 | O14727 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 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 | |
|---|---|---|---|---|
| SCHEMBL6831462 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL7027286 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL7178097 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL14220543 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL30601608 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL6831484 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL13016774 | 0.85 | ALDH1A1 (0.60) | ALDH1A1CA12CA1CA7CA9 | |
| Cis-10,11-Cyclopropyl-12-Oxo-Calanolide A SCHEMBL13016614 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL8466791 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CA12CA1CA7CA9 | |
| 114, 10,10-Dimethyl-11-Demethyl-12-Oxo Calanolide A SCHEMBL13016680 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA7CA9 |
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-5977385-A | VIRICIDES | SARAWAK MEDICHEM PHARMACEUTICALS (US) | 1999-11-02 | — | — | US | disclosed |