Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12036045 | 0.84 | PARP1 (0.48) | PARP1 | |
| SCHEMBL8939924 | 0.83 | PARP1 (0.52) | PARP1TDP1ALDH1A1HPGD | |
| SCHEMBL7334540 | 0.82 | LMNA (0.41) | PARP1AKR1B1CYP3A4ALDH1A1TP53 | |
| SCHEMBL8939961 | 0.81 | PARP1 (0.76) | PARP1TDP1ALDH1A1 | |
| SCHEMBL9866564 | 0.81 | PARP1 (0.51) | PARP1TDP1AKR1B1ALDH1A1HPGD | |
| SCHEMBL9867744 | 0.80 | PARP1 (0.47) | PARP1TDP1 | |
| SCHEMBL7126040 | 0.79 | PARP1 (0.49) | PARP1TDP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL10806946 | 0.79 | PARP1 (0.49) | PARP1TDP1ALDH1A1MAOAMAOB | |
| SCHEMBL10814991 | 0.78 | BRD4 (0.48) | PARP1TDP1 | |
| SCHEMBL10805151 | 0.77 | PARP1 (0.50) | PARP1TDP1 |
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 10 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-5442077-A | Benzo[B]Furancarboxamide derivatives, process for the preparation of same and use thereof for improving hypermotility | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1995-08-15 | — | — | US | disclosed |
| EP-0640602-A1 | Benzo[b]furancarboxamide derivatives, process for their preparation and their use as gastrointestinal mobility-enhancing agents | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1995-03-01 | — | — | EP | disclosed |
| US-5364863-A | Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders | ELI LILLY AND COMPANY (US) | 1994-11-15 | — | — | US | disclosed |
| US-5006570-A | Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics | LABORATOIRES DELAGRANGE (FR) | 1991-04-09 | — | — | 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 |
| EP-0307172-A2 | Improvements in or relating to specific 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |