Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.51 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.51 |
| ▸ | F13A1 | P00488 | 1/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | TGM1 | P22735 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | 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 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 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 | |
|---|---|---|---|---|
| SCHEMBL1678201 | 0.87 | DRD2 (0.50) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL1677497 | 0.87 | CCR6 (0.53) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL30511035 | 0.86 | CCR6 (0.49) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL7368731 | 0.85 | CCR6 (0.50) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL7367495 | 0.85 | ALDH1A1 (0.58) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL7360571 | 0.84 | CCR6 (0.56) | CCR6PAX8ALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL23388381 | 0.84 | CCR6 (0.49) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL22239359 | 0.84 | PRSS1 (0.41) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL2724661 | 0.83 | ALDH1A1 (0.53) | CCR6PAX8F13A1TGM2TGM1 | |
| SCHEMBL10827358 | 0.83 | LMNA (0.60) | CCR6PAX8F13A1TGM2TGM1 |
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 |