Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.59 |
| ▸ | HTR2C | P28335 | 3/20 | 0.59 |
| ▸ | HTR7 | P34969 | 3/20 | 0.59 |
| ▸ | HTR6 | P50406 | 3/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8948078 | 0.94 | HTR2A (0.55) | HTR2AHTR2CHTR7HTR6TMEM97 | |
| SCHEMBL8947898 | 0.92 | HTR2A (0.55) | HTR2AHTR2CHTR7HTR6SIGMAR1 | |
| SCHEMBL8948011 | 0.89 | HTR1A (0.60) | HTR2AHTR2CHTR7HTR6HTR1A | |
| SCHEMBL8947974 | 0.89 | SIGMAR1 (0.64) | HTR2AHTR2CHTR7HTR6SIGMAR1 | |
| SCHEMBL8948007 | 0.87 | HTR1A (0.66) | HTR2AHTR2CHTR7HTR6HTR1A | |
| SCHEMBL8947902 | 0.85 | KCNH2 (0.53) | TMEM97SIGMAR1KCNH2 | |
| SCHEMBL8947787 | 0.85 | SIGMAR1 (0.58) | HTR2ATMEM97SIGMAR1 | |
| SCHEMBL8948106 | 0.85 | HTR2A (0.49) | HTR2AHTR2CHTR7HTR6HTR1A | |
| SCHEMBL8948101 | 0.85 | TMEM97 (0.49) | HTR1ATMEM97SIGMAR1 | |
| SCHEMBL8948061 | 0.85 | SIGMAR1 (0.52) | HTR2AHTR2CHTR7HTR6TMEM97 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534517-A | (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression | ADIR ET COMPAGNIE (FR) | 1996-07-09 | — | — | US | disclosed |
| US-5387586-A | Analgesics, nervous system disorders | ADIR ET COMPAGNIE (FR) | 1995-02-07 | — | — | US | disclosed |
| EP-0613898-A1 | Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-09-07 | — | — | EP | disclosed |