Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939939 | 0.85 | HTR3A (0.66) | HTR3AHTR2ASLC6A4HRH1PDE4D | |
| SCHEMBL8939966 | 0.85 | HTR3A (0.50) | HTR3AHTR2ASLC6A4HRH1PDE4D | |
| SCHEMBL8939974 | 0.83 | HTR3A (0.48) | HTR3AHTR2ASLC6A4HRH1PDE4D | |
| SCHEMBL8940172 | 0.82 | HTR3A (0.48) | HTR3AHTR2ASLC6A4HRH1PDE4D | |
| SCHEMBL8939964 | 0.81 | PKM (0.54) | — | |
| SCHEMBL9183794 | 0.80 | HTR3A (0.46) | HTR3AHTR2ASLC6A4HRH1PDE4D | |
| SCHEMBL8939956 | 0.77 | HTR4 (0.40) | HTR3A | |
| SCHEMBL8940144 | 0.76 | HTR3A (0.40) | HTR3AKCNH2 | |
| Maleic Acid SCHEMBL10401263 | 0.76 | PKM (0.48) | — | |
| SCHEMBL8939967 | 0.75 | HTR3A (0.53) | HTR3A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5563148-A | BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS | ELI LILLY AND COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0307172-B1 | Improvements in or relating to specific 5-HT3 antagonists | LILLY CO ELI (US) | 1995-10-11 | — | — | EP | disclosed |
| US-5442078-A | Intermediates for specific 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1995-08-15 | — | — | US | disclosed |
| US-5364863-A | Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders | ELI LILLY AND COMPANY (US) | 1994-11-15 | — | — | US | disclosed |
| US-4997956-A | Analgesics | ELI LILLY AND COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4921982-A | 5-halo-2,3-dihydro-2,2-dimethylbenzofuran-7-carboxylic acids useful as intermediates for 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1990-05-01 | — | — | US | disclosed |