Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 6/20 | 0.49 |
| ▸ | MME | P08473 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL7422544 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDMEN1KMT2APPARG | |
| SCHEMBL27697067 | 0.88 | PPARG (0.56) | ALDH1A1MEN1KMT2APPARGMME | |
| SCHEMBL7422437 | 0.86 | PPARG (0.48) | ALDH1A1MEN1KMT2APPARGMME | |
| SCHEMBL7423687 | 0.82 | PPARG (0.52) | ALDH1A1PPARGMMEKEAP1 | |
| SCHEMBL7423684 | 0.82 | PPARG (0.52) | ALDH1A1PPARGMMEKEAP1 | |
| SCHEMBL346889 | 0.81 | MME (0.51) | PPARGMMENAALAD2ACE | |
| SCHEMBL27746697 | 0.81 | PPARG (0.51) | ALDH1A1MEN1KMT2APPARGMME | |
| SCHEMBL27633061 | 0.80 | MEN1 (0.71) | ALDH1A1MEN1KMT2APPARGMME | |
| SCHEMBL28175306 | 0.80 | MEN1 (0.71) | ALDH1A1MEN1KMT2APPARGMME | |
| SCHEMBL3893774 | 0.79 | L3MBTL1 (0.60) | HPGDMEN1KMT2APPARGMME |
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-1017382-A4 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2000-08-30 | — | — | EP | claimed |
| EP-1017382-A1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-07-12 | — | — | EP | claimed |
| WO-1998053817-A1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |