Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.57 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4196712 | 0.91 | PKM (0.67) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL14686859 | 0.90 | PKM (0.63) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL25236156 | 0.89 | PKM (0.62) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL25240846 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL4200577 | 0.82 | ALDH1A1 (0.57) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL25240100 | 0.82 | ALDH1A1 (0.51) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| Hydrochloric Acid SCHEMBL25279480 | 0.81 | ALDH1A1 (0.50) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL25233998 | 0.80 | MAPK1 (0.54) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL25278937 | 0.79 | HTT (0.55) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL25275540 | 0.79 | HTT (0.55) | HTTALDH1A1HPGDHSP90AA1CACNA1B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5229381-A | Inhibitors of leukocyte enzyme elastase | MERCK & CO., INC. (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0481671-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0199630-B1 | SUBSTITUTED AZETIDINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE FOR THE MANUFACTURE OF ANTI-INFLAMMATORY AND ANTIDEGENERATIVE MEDICAMENTS | MERCK & CO. INC. (US) | 1990-09-19 | — | — | EP | disclosed |
| EP-0337549-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |
| US-4680391-A | Substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO., INC. (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0199630-A1 | Substituted azetidinones, pharmaceutical compositions containing them, and their use for the manufacture of anti-inflammatory and antidegenerative medicaments | MERCK & CO. INC. (US) | 1986-10-29 | — | — | EP | disclosed |