Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.52 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121365 | 1.00 | RIPK1 (0.52) | RIPK1HCRTR2GPR119NPC1UCHL1 | |
| SCHEMBL9025059 | 1.00 | RIPK1 (0.52) | RIPK1HCRTR2GPR119NPC1UCHL1 | |
| SCHEMBL9023721 | 1.00 | RIPK1 (0.52) | RIPK1HCRTR2GPR119NPC1UCHL1 | |
| SCHEMBL8125588 | 1.00 | RIPK1 (0.52) | RIPK1HCRTR2GPR119NPC1UCHL1 | |
| SCHEMBL5784217 | 1.00 | RIPK1 (0.52) | RIPK1HCRTR2GPR119NPC1UCHL1 | |
| SCHEMBL2982061 | 0.92 | GPR119 (0.47) | RIPK1HCRTR2GPR119NR1H2RXRA | |
| SCHEMBL9025724 | 0.88 | NPSR1 (0.50) | GPR119NPC1UCHL1MEN1KMT2A | |
| SCHEMBL9025739 | 0.88 | NPSR1 (0.50) | GPR119NPC1UCHL1MEN1KMT2A | |
| SCHEMBL9025718 | 0.88 | NPSR1 (0.50) | GPR119NPC1UCHL1MEN1KMT2A | |
| SCHEMBL9026068 | 0.87 | ALDH1A1 (0.48) | NPC1UCHL1MEN1KMT2AHSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5561130-A | USED TO PREVENT OR TREAT PAIN, INFLAMMATION, MIGRANES AND/OR ARTHRITIS | MERCK SHARP & DOHME LIMITED (GB) | 1996-10-01 | — | — | US | disclosed |
| EP-0600952-B1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME (GB) | 1996-04-17 | — | — | EP | disclosed |
| US-5496833-A | BRONCHODILATOR, ANTIINFLAMMATORY, ANTIARTHRITIC, ANALGESIC, AND ANTIMIGRAINE AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-03-05 | — | — | US | disclosed |
| US-5459270-A | Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders | MERCK SHARP & DOHME LIMITED (GB) | 1995-10-17 | — | — | US | disclosed |
| US-5444074-A | Treating diseases associated with excess of substance P | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| WO-1994002461-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |
| EP-0528495-A1 | Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them | MERCK SHARP & DOHME LTD. (GB) | 1993-02-24 | — | — | EP | disclosed |