Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.35 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.32 |
| ▸ | ALDH1B1 | P30837 | 2/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7033536 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL13016682 | 0.62 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL3774171 | 0.61 | ALDH1A1 (0.38) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL7170109 | 0.61 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL6628820 | 0.61 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL3777704 | 0.61 | ALDH1A1 (0.36) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL31238432 | 0.60 | PDE4D (0.45) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL8926859 | 0.60 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA7CA9 | |
| SCHEMBL7036205 | 0.59 | ALDH1A1 (0.68) | ALDH1A1CA12CA1CA7CA9 | |
| (-)-Calanolide A SCHEMBL8927754 | 0.59 | ALDH1A1 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1143952-A3 | METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS | Sarawak Medichem Pharmaceuticals Inc. (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1143952-A2 | METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS | Sarawak Medichem Pharmaceuticals Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000021514-A2 | METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS | SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) | 2000-04-20 | — | — | WO | disclosed |