Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.54 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9200782 | 1.00 | NR1H2 (0.54) | NR1H2NR1H3STSHCRTR2DPP4 | |
| SCHEMBL8923537 | 0.84 | NR1H2 (0.52) | NR1H2NR1H3STSDPP4HDAC1 | |
| SCHEMBL7860304 | 0.84 | NR1H2 (0.52) | NR1H2NR1H3STSDPP4HDAC1 | |
| SCHEMBL7860307 | 0.84 | NR1H2 (0.52) | NR1H2NR1H3STSDPP4HDAC1 | |
| SCHEMBL28334137 | 0.83 | NR1H2 (0.56) | NR1H2NR1H3STSDPP4HDAC1 | |
| SCHEMBL28334140 | 0.83 | NR1H2 (0.56) | NR1H2NR1H3STSDPP4HDAC1 | |
| SCHEMBL22322657 | 0.82 | KLK7 (0.48) | NR1H2NR1H3STSHCRTR2KLK7 | |
| SCHEMBL29550939 | 0.82 | KLK7 (0.48) | NR1H2NR1H3STSHCRTR2KLK7 | |
| SCHEMBL7861629 | 0.81 | TACR1 (0.57) | NR1H2NR1H3STSDPP4HDAC1 | |
| SCHEMBL7861627 | 0.81 | TACR1 (0.57) | NR1H2NR1H3STSDPP4HDAC1 |
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-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | disclosed |
| EP-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | disclosed |