Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2182415 | 0.93 | HSD17B10 (0.48) | CXCR4RAD52HSD17B10ANPEPERAP2 | |
| SCHEMBL1307631 | 0.82 | CARM1 (0.50) | HRH3SIGMAR1ALDH1A1GNAI3GNAO1 | |
| SCHEMBL5748707 | 0.82 | — | — | |
| SCHEMBL1306352 | 0.81 | CXCR4 (0.46) | CXCR4RAD52HSD17B10ANPEPERAP2 | |
| SCHEMBL13478087 | 0.81 | HSD17B10 (0.38) | RAD52HSD17B10ANPEPERAP2CYP3A4 | |
| SCHEMBL19981892 | 0.81 | CARM1 (0.48) | MEN1KMT2AHRH3SIGMAR1ALDH1A1 | |
| SCHEMBL348039 | 0.81 | CARM1 (0.48) | MEN1KMT2AHRH3SIGMAR1ALDH1A1 | |
| SCHEMBL1999568 | 0.79 | CXCR4 (0.57) | CXCR4RAD52MEN1KMT2ACHRM2 | |
| SCHEMBL14431493 | 0.78 | — | — | |
| SCHEMBL24971199 | 0.76 | CXCR4 (0.58) | CXCR4RAD52HSD17B10ANPEPERAP2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0595557-B1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO INC (US) | 2004-06-30 | — | — | EP | disclosed |
| US-5747485-A | RESPIRATORY SYSTEM DISORDERS | MERCK & CO., INC. (US) | 1998-05-05 | — | — | US | disclosed |
| EP-0755262-A4 | COMPOSITION FOR THE TREATMENT OF LUNG DISEASE | MERCK & CO INC (US) | 1997-05-07 | — | — | EP | disclosed |
| EP-0755262-A1 | COMPOSITION FOR THE TREATMENT OF LUNG DISEASE | MERCK & CO. INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| US-5591737-A | ELASTASE INHIBITORS | MERCK & CO., INC. (US) | 1997-01-07 | — | — | US | disclosed |
| WO-1995024207-A1 | COMPOSITION FOR THE TREATMENT OF LUNG DISEASE | MERCK & CO., INC. (US) | 1995-09-14 | — | — | WO | disclosed |
| WO-1994010142-A1 | NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1994-05-11 | — | — | WO | disclosed |
| EP-0595557-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1994-05-04 | — | — | EP | disclosed |