Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.46 |
| ▸ | DRD4 | P21917 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25340140 | 0.86 | OPRM1 (0.46) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| SCHEMBL7170152 | 0.83 | OPRM1 (0.49) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL11720708 | 0.76 | CYP3A4 (0.54) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL11720658 | 0.76 | OPRM1 (0.47) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| SCHEMBL24684840 | 0.76 | OPRM1 (0.41) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL11722933 | 0.75 | KCNH2 (0.55) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| SCHEMBL10768406 | 0.74 | OPRM1 (0.63) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL11719547 | 0.72 | KDM4E (0.43) | OPRM1DRD4KCNH2ADRA2AADRA2B | |
| SCHEMBL8199716 | 0.71 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19870991 | 0.71 | KCNN4 (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1085661-C | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 2002-05-29 | — | — | CN | disclosed |
| CN-1161033-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 1997-10-01 | — | — | CN | disclosed |