Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.43 |
| ▸ | RXRA | P19793 | 4/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5786783 | 1.00 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL5785423 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL9024216 | 0.77 | NR1H2 (0.47) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL5786819 | 0.76 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL6075001 | 0.76 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL5784791 | 0.74 | KLK7 (0.41) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL7658870 | 0.74 | NR1H2 (0.45) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL8153805 | 0.72 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL8157924 | 0.72 | NR1H2 (0.41) | NR1H2NR1H3RXRARIPK1KLK7 | |
| SCHEMBL8156450 | 0.72 | NR1H2 (0.43) | NR1H2NR1H3RXRARIPK1KLK7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929554-B1 | SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2006-03-15 | — | — | EP | disclosed |
| US-6046195-A | Spiro-azacyclic derivatives, their preparation and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-04-04 | — | — | US | disclosed |