Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.44 |
| ▸ | DTYMK | P23919 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7749601 | 0.96 | ALDH1A1 (0.53) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL613001 | 0.96 | ALDH1A1 (0.53) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL611920 | 0.95 | ALDH1A1 (0.51) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| Hydrochloric Acid SCHEMBL11773238 | 0.95 | ALDH1A1 (0.51) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL1790306 | 0.91 | TSHR (0.49) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL2894347 | 0.89 | DTYMK (0.50) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL2977714 | 0.85 | DTYMK (0.50) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL29596737 | 0.85 | DTYMK (0.50) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL3902768 | 0.83 | DTYMK (0.51) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 | |
| SCHEMBL22163985 | 0.83 | CA12 (0.52) | ALDH1A1CYP3A4VCAM1TSHRSLC25A1 |
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-0751768-A1 | ANTI-VIRAL AND ANTI-CANCER AGENTS | RADOPATH LIMITED (GB) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995024897-A1 | ANTI-VIRAL AND ANTI-CANCER AGENTS | RADOPATH LIMITED (GB) | 1995-09-21 | — | — | WO | disclosed |