Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | RARA | P10276 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2858924 | 0.88 | RARB (0.61) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL1811178 | 0.88 | RARB (0.73) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL11257708 | 0.87 | RARB (0.68) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL2402922 | 0.86 | RARB (0.71) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL2851539 | 0.85 | MAPT (0.60) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL5598223 | 0.82 | PLK1 (0.50) | RARBALDH1A1RARAPLK1FFAR1 | |
| SCHEMBL2851976 | 0.82 | RARB (0.52) | RARBALDH1A1RARAPLK1PTPN11 | |
| SCHEMBL2853174 | 0.81 | PLK1 (0.51) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL1814690 | 0.81 | PPARA (0.55) | RARBALDH1A1RARAPLK1PTPN11 | |
| SCHEMBL4646270 | 0.79 | RARB (0.73) | RARBALDH1A1MEN1RARAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1654247-B1 | ALKYNYL ARYL CARBOXAMIDES | MERCK SERONO SA (CH) | 2010-01-20 | — | — | EP | claimed |
| JP-2006528156-A | — | — | 2006-12-14 | — | — | JP | claimed |
| EP-1654247-A1 | ALKYNYL ARYL CARBOXAMIDES | Applied Research Systems ARS Holding N.V. (AN) | 2006-05-10 | — | — | EP | claimed |
| WO-2005012280-A1 | ALKYNYL ARYL CARBOXAMIDES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-02-10 | — | — | WO | claimed |