Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2979302 | 0.73 | CYP2A6 (0.35) | ALDH1A1CA2CA1ACHETSHR | |
| SCHEMBL2977865 | 0.73 | CYP3A4 (0.35) | ALDH1A1HPGDALOX15RECQLHSD17B10 | |
| SCHEMBL4752477 | 0.73 | TRPA1 (0.36) | TRPA1 | |
| SCHEMBL2863 | 0.64 | — | — | |
| SCHEMBL792902 | 0.64 | ALDH1A1 (0.36) | ALDH1A1CA2HPGDALOX15RECQL | |
| SCHEMBL5712063 | 0.62 | TRPA1 (0.30) | TRPA1 | |
| SCHEMBL11146382 | 0.62 | — | — | |
| SCHEMBL11880716 | 0.57 | — | — | |
| Pyrogallol SCHEMBL170157 | 0.55 | ALDH1A1 (1.00) | ALDH1A1CA2HPGDALOX15RECQL | |
| Pyrogallol SCHEMBL3532 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011029832-A1 | NOVEL THIAZOL AND OXAZOL HEPCIDINE ANTAGONISTS | VIFOR (INTERNATIONAL) AG (CH) | 2011-03-17 | — | — | WO | disclosed |