Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | IDO1 | P14902 | 5/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21969570 | 0.82 | ALDH1A1 (0.39) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL11437812 | 0.80 | ALDH1A1 (0.68) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL12335546 | 0.80 | IDO1 (0.50) | ALDH1A1IDO1AGXTTAAR1SIGMAR1 | |
| SCHEMBL7213704 | 0.79 | AGXT (0.38) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL28807469 | 0.78 | ALDH1A1 (0.55) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL6803104 | 0.77 | ALDH1A1 (0.64) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL11036979 | 0.77 | ALDH1A1 (0.70) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| Estragole SCHEMBL57204 | 0.77 | ALDH1A1 (1.00) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| Estragole SCHEMBL900647 | 0.77 | ALDH1A1 (1.00) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| Estragole SCHEMBL28095175 | 0.77 | ALDH1A1 (1.00) | ALDH1A1ALOX15TP53CYP3A4TSHR |
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-1339671-A2 | 1,7 AND 1,9-DIARYLPOLYMETHINE SALTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002046139-A2 | 1,7 AND 1,9-DIARYLPOLYMETHINE SALTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2002-06-13 | — | — | WO | disclosed |