Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.54 |
| ▸ | CA2 | P00918 | 9/20 | 0.54 |
| ▸ | CA9 | Q16790 | 8/20 | 0.54 |
| ▸ | CA12 | O43570 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12628953 | 1.00 | CA1 (0.54) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL2011504 | 0.92 | ALDH1A1 (0.54) | ALDH1A1NPSR1FKBP1AKMT2ARAB9A | |
| SCHEMBL12628159 | 0.92 | ALDH1A1 (0.54) | ALDH1A1NPSR1FKBP1AKMT2ARAB9A | |
| SCHEMBL2013800 | 0.91 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL12628186 | 0.91 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL2017637 | 0.89 | ALDH1A1 (0.66) | ALDH1A1KMT2ARAB9AMEN1 | |
| SCHEMBL12629084 | 0.89 | ALDH1A1 (0.66) | ALDH1A1KMT2ARAB9AMEN1 | |
| SCHEMBL2010853 | 0.89 | KMT2A (0.58) | ALDH1A1KMT2ARAB9AMEN1 | |
| SCHEMBL12628174 | 0.89 | KMT2A (0.58) | ALDH1A1KMT2ARAB9AMEN1 | |
| SCHEMBL12628167 | 0.87 | ALDH1A1 (0.50) | ALDH1A1FKBP1AKMT2ARAB9AMEN1 |
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-2011073269-A1 | PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | claimed |