Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2188123 | 1.00 | AOC3 (0.47) | AOC3CA12CA1CA2ESR1 | |
| SCHEMBL2188119 | 1.00 | AOC3 (0.47) | AOC3CA12CA1CA2ESR1 | |
| SCHEMBL16735524 | 0.81 | AOC3 (0.46) | AOC3CYP3A4ALDH1A1MAPTBAD | |
| SCHEMBL22589260 | 0.81 | AOC3 (0.36) | AOC3CYP3A4ALDH1A1BADNPSR1 | |
| SCHEMBL1443963 | 0.81 | AOC3 (0.46) | AOC3CYP3A4ALDH1A1MAPTBAD | |
| SCHEMBL1443961 | 0.81 | AOC3 (0.46) | AOC3CYP3A4ALDH1A1MAPTBAD | |
| SCHEMBL12242140 | 0.81 | NQO2 (0.38) | AOC3ALDH1A1BADNPSR1TDP1 | |
| SCHEMBL22589261 | 0.81 | AOC3 (0.36) | AOC3CYP3A4ALDH1A1BADNPSR1 | |
| SCHEMBL2210040 | 0.80 | AOC3 (0.51) | AOC3CYP3A4ALDH1A1HSP90AA1TDP1 | |
| SCHEMBL12242144 | 0.79 | AOC3 (0.35) | AOC3CYP3A4ALDH1A1MAPTBAD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2342179-B1 | COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-05-27 | — | — | EP | claimed |