Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.56 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25910825 | 0.89 | CCR6 (0.54) | CCR6PAX8ALDH1A1RENPTGDR2 | |
| SCHEMBL17846650 | 0.87 | CCR6 (0.54) | CCR6PAX8ALDH1A1PTGDR2LMNA | |
| SCHEMBL6217458 | 0.87 | CCR6 (0.55) | CCR6PAX8ALDH1A1RENPTGDR2 | |
| SCHEMBL7367661 | 0.84 | CCR6 (0.51) | CCR6PAX8ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7366351 | 0.84 | CCR6 (0.53) | CCR6PAX8ALDH1A1PTGDR2LMNA | |
| SCHEMBL18594775 | 0.84 | CCR6 (0.52) | CCR6PAX8ALDH1A1PTGDR2LMNA | |
| SCHEMBL16665613 | 0.83 | ALDH1A1 (0.58) | CCR6PAX8ALDH1A1PTGDR2LMNA | |
| SCHEMBL554131 | 0.82 | CCR6 (0.55) | CCR6PAX8ALDH1A1PTGDR2LMNA | |
| SCHEMBL20921538 | 0.82 | CCR6 (0.50) | CCR6PAX8ALDH1A1RENLMNA | |
| SCHEMBL9942494 | 0.81 | CCR6 (0.57) | CCR6PAX8ALDH1A1PTGDR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5348953-A | Elastase inhibitor | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| WO-1994013636-A1 | NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |
| EP-0525973-A2 | Substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1993-02-03 | — | — | EP | disclosed |
| WO-1993000332-A1 | SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1993-01-07 | — | — | WO | disclosed |