Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.47 |
| ▸ | RXRA | P19793 | 4/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 2/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156450 | 0.81 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1RORC | |
| SCHEMBL7658870 | 0.81 | NR1H2 (0.45) | NR1H2NR1H3RXRARIPK1RORC | |
| SCHEMBL8147798 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1HCRTR2 | |
| SCHEMBL5783564 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1RORC | |
| SCHEMBL5783560 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1RORC | |
| SCHEMBL6207697 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1HCRTR2 | |
| SCHEMBL5784123 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1HCRTR2 | |
| SCHEMBL6209857 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1RORC | |
| SCHEMBL5786819 | 0.79 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1RORC | |
| SCHEMBL6075001 | 0.79 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1RORC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0600952-B1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME (GB) | 1996-04-17 | — | — | EP | disclosed |
| US-5459270-A | Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders | MERCK SHARP & DOHME LIMITED (GB) | 1995-10-17 | — | — | US | disclosed |
| EP-0600952-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | MERCK SHARP & DOHME (GB) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993004040-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME LIMITED (GB) | 1993-03-04 | — | — | 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 |