Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 12/20 | 0.55 |
| ▸ | TACR1 | P25103 | 10/20 | 0.55 |
| ▸ | TACR3 | P29371 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559945 | 0.83 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8556339 | 0.76 | TACR1 (0.58) | TACR2TACR1TACR3HTR7ADRA2A | |
| Hydrochloric Acid SCHEMBL8593239 | 0.71 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7834929 | 0.71 | TACR2 (1.00) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7495631 | 0.69 | TACR2 (0.58) | TACR2TACR1TACR3 | |
| SCHEMBL7495624 | 0.69 | TACR2 (0.58) | TACR2TACR1TACR3 | |
| Hydrochloric Acid SCHEMBL8369914 | 0.69 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8364890 | 0.68 | TACR2 (0.51) | TACR2TACR1TACR3 | |
| SCHEMBL11065503 | 0.68 | OPRM1 (0.53) | TACR2TACR1TACR3HTR7ADRA1A | |
| SCHEMBL8589466 | 0.68 | TACR1 (0.46) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5807865-A | 3,3-disubstituted piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 1998-09-15 | — | — | US | disclosed |