Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 9/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 8/20 | 0.41 |
| ▸ | RXRA | P19793 | 6/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5783560 | 1.00 | NR1H2 (0.41) | NR1H2NR1H3RXRAABCB1HCRTR2 | |
| SCHEMBL5783564 | 1.00 | NR1H2 (0.41) | NR1H2NR1H3RXRAABCB1HCRTR2 | |
| SCHEMBL8157917 | 0.90 | MEN1 (0.40) | MEN1KMT2ARORC | |
| SCHEMBL8157922 | 0.90 | MEN1 (0.40) | MEN1KMT2ARORC | |
| SCHEMBL8459509 | 0.83 | CHRM2 (0.37) | MEN1KMT2AALDH1A1TSHRL3MBTL1 | |
| SCHEMBL9024216 | 0.79 | NR1H2 (0.47) | NR1H2NR1H3RXRAABCB1HCRTR2 | |
| SCHEMBL8156074 | 0.78 | NR1H2 (0.37) | NR1H2NR1H3RXRAABCB1HCRTR2 | |
| SCHEMBL8156067 | 0.78 | NR1H2 (0.37) | NR1H2NR1H3RXRAABCB1HCRTR2 | |
| SCHEMBL7919390 | 0.78 | NR1H2 (0.39) | NR1H2NR1H3RXRAABCB1HCRTR2 | |
| SCHEMBL8156075 | 0.78 | NR1H2 (0.37) | NR1H2NR1H3RXRAABCB1HCRTR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0942733-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING COGNITIVE DISORDERS | MERCK SHARP & DOHME (GB) | 2005-04-27 | — | — | EP | disclosed |
| EP-0941093-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MAJOR DEPRESSIVE DISORDERS WITH ANXIETY | MERCK SHARP & DOHME (GB) | 2005-02-09 | — | — | EP | disclosed |
| EP-0941092-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MAJOR DEPRESSIVE DISORDERS | MERCK SHARP & DOHME (GB) | 2004-12-29 | — | — | EP | disclosed |
| EP-0942732-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MOVEMENT DISORDERS | MERCK SHARP & DOHME (GB) | 2004-11-17 | — | — | EP | disclosed |