Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.69 |
| ▸ | DRD2 | P14416 | 3/20 | 0.69 |
| ▸ | HTR2A | P28223 | 3/20 | 0.69 |
| ▸ | HTR2C | P28335 | 3/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.69 |
| ▸ | HRH1 | P35367 | 3/20 | 0.69 |
| ▸ | HTR6 | P50406 | 3/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.69 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.69 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.67 |
| ▸ | DRD1 | P21728 | 1/20 | 0.67 |
| ▸ | DRD4 | P21917 | 1/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545101 | 0.94 | HTR1A (0.78) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL1545854 | 0.91 | HTR1A (0.81) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL1545328 | 0.86 | ABCB11 (0.88) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL8788658 | 0.84 | DRD2 (0.60) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL9228919 | 0.83 | HTR1A (0.72) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL17343105 | 0.83 | ABCB11 (0.94) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL27330461 | 0.83 | DRD2 (0.76) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL1544952 | 0.83 | HTR1A (0.56) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL27422817 | 0.82 | ABCB11 (0.75) | HTR1AADRA2ADRD2HTR2AHTR2C | |
| SCHEMBL8889766 | 0.81 | DRD2 (0.64) | HTR1AADRA2ADRD2HTR2AHTR2C |
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-RE39198-E1 | Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics | AVENTIS PHARMACEUTICALS INC. (US) | 2006-07-18 | — | — | US | disclosed |