Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | POLQ | O75417 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7812095 | 0.90 | TACR1 (0.47) | DRD4MEN1KMT2ATACR1CHRNB2 | |
| SCHEMBL7812086 | 0.86 | GABBR2 (0.50) | DRD4MEN1KMT2ATACR1POLQ | |
| SCHEMBL7803020 | 0.84 | ALDH1A1 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL7807766 | 0.82 | DRD4 (0.41) | DRD4MEN1KMT2ATACR1CHRNB2 | |
| SCHEMBL7803133 | 0.81 | ALDH1A1 (0.50) | MEN1KMT2ATACR1SLC6A2SLC6A4 | |
| SCHEMBL7802852 | 0.80 | DRD4 (0.62) | DRD4MEN1KMT2ACACNA2D1CACNA1B | |
| SCHEMBL7811900 | 0.79 | TACR1 (0.43) | DRD4MEN1KMT2ATACR1POLQ | |
| SCHEMBL27430310 | 0.78 | DRD4 (0.43) | DRD4MEN1KMT2ACHRNB2CHRNB4 | |
| SCHEMBL7802841 | 0.77 | OPRM1 (0.59) | DRD4MEN1KMT2ATACR1SLC6A2 | |
| SCHEMBL7815055 | 0.76 | GABBR2 (0.53) | MEN1KMT2ATACR1POLQFNTA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1085661-C | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 2002-05-29 | — | — | CN | disclosed |
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| CN-1161033-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 1997-10-01 | — | — | CN | disclosed |
| US-5654316-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |