Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | CA12 | O43570 | 2/20 | 1.00 |
| ▸ | CA1 | P00915 | 2/20 | 1.00 |
| ▸ | CA2 | P00918 | 2/20 | 1.00 |
| ▸ | CA7 | P43166 | 2/20 | 1.00 |
| ▸ | CA9 | Q16790 | 2/20 | 1.00 |
| ▸ | APAF1 | O14727 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.33 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| (+)-Calanolide B SCHEMBL212038 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| Calanolide C SCHEMBL7036135 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| Costatolide SCHEMBL30544160 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| (-)-Calanolide A SCHEMBL29803798 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| Calanolide A SCHEMBL140017 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| Calanolide A SCHEMBL30075237 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| (-)-Calanolide A SCHEMBL8927754 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| Costatolide SCHEMBL29397227 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| Costatolide SCHEMBL29402951 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19596735 | 0.90 | ALDH1A1 (0.82) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2841109-B1 | PRODRUGS OF HYDROXYL-COMPRISING DRUGS | ASCENDIS PHARMA AS (DK) | 2026-04-15 | — | — | EP | disclosed |
| 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 |