Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 8/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4242110 | 0.84 | NPSR1 (0.39) | PTGESPKMNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL8126374 | 0.83 | PARP1 (0.40) | PTGESPKMNPSR1ALDH1A1CYP3A4 | |
| SCHEMBL8940054 | 0.79 | FFAR4 (0.44) | ALDH1A1CASP1KMT2ALMNA | |
| SCHEMBL5042504 | 0.78 | PTGES (0.37) | PTGESPKMNPSR1ALDH1A1POLB | |
| SCHEMBL11218997 | 0.77 | ALDH1A1 (0.36) | PTGESPKMNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL11956874 | 0.76 | PARP1 (0.37) | PKMNPSR1ALDH1A1CYP3A4POLB | |
| SCHEMBL8125096 | 0.76 | MEN1 (0.40) | PTGESPKMNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL8940038 | 0.76 | TPMT (0.39) | PTGESALDH1A1POLBMEN1KMT2A | |
| SCHEMBL8948519 | 0.75 | ALDH1A1 (0.37) | PKMNPSR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14444109 | 0.75 | ALDH1A1 (0.46) | PKMNPSR1ALDH1A1CYP1A2CYP3A4 |
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 8 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 |
| CN-1031841-A | The improvement of special 5-HT3 antagonist | LILLY CO ELI (US) | 1989-03-22 | — | — | CN | disclosed |
| EP-0307172-A2 | Improvements in or relating to specific 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |