Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | CCKBR | P32239 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL140810 | 0.87 | HTR1A (0.74) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL1566323 | 0.87 | HTR1A (0.74) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL30620874 | 0.87 | HTR1A (0.74) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL1566550 | 0.87 | HTR1A (0.74) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL27345067 | 0.85 | ABCB11 (0.65) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL1544844 | 0.85 | ABCB11 (0.77) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL8825541 | 0.83 | HTR1A (0.69) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL27335646 | 0.82 | ABCB11 (0.68) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| SCHEMBL1545309 | 0.82 | ABCB11 (0.80) | HTR1ADRD2HTR2AABCB11CHRM2 | |
| Hydrochloric Acid SCHEMBL8679257 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE39198-E1 | Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics | AVENTIS PHARMACEUTICALS INC. (US) | 2006-07-18 | — | — | US | disclosed |
| US-5364866-A | Side effect reduction | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1994-11-15 | — | — | US | disclosed |