Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 10/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4130976 | 0.85 | PSMB8 (0.46) | PTGIRTBXA2RALDH1A1PSMB8PSMB5 | |
| SCHEMBL7960566 | 0.82 | PTGIR (0.66) | PTGIRTBXA2RALDH1A1TDP1 | |
| SCHEMBL7958900 | 0.80 | PTGIR (0.46) | PTGIRTBXA2RMAPTALDH1A1ADORA3 | |
| SCHEMBL7958897 | 0.78 | PTGIR (0.44) | PTGIRTBXA2RMAPTTP53THRB | |
| SCHEMBL7959954 | 0.77 | MEN1 (0.48) | PTGIRTBXA2RALDH1A1ADORA2APSMB8 | |
| SCHEMBL11301041 | 0.77 | MAPT (0.39) | MAPTALDH1A1CYP2A6NPSR1TDP1 | |
| SCHEMBL7737674 | 0.74 | MAPT (0.35) | PTGIRTBXA2RMAPTTP53THRB | |
| SCHEMBL7959190 | 0.74 | PTGIR (0.67) | PTGIRTBXA2RALDH1A1TDP1 | |
| SCHEMBL3025752 | 0.72 | ALDH1A1 (0.60) | MAPTTHRBALDH1A1NPSR1TDP1 | |
| SCHEMBL7958339 | 0.71 | PTGIR (0.36) | PTGIRTBXA2R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0009780-B1 | OCTAHYDRO-1H-BENZO(4,5)FURO(3,2-E)ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |
| US-4260761-A | Intermediates for the preparation of octahydro-1H-benzo[4,5]furo[3,2,-e]-isoquinoline analgesic and narcotic antagonistic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-04-07 | — | — | US | disclosed |
| US-4243668-A | Octahydro-1H-benzo[4,5]furo[3,2-e]-isoquinoline analgesic and narcotic antagonistic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| EP-0009780-A2 | Octahydro-1H-benzo(4,5)furo(3,2-e)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-04-16 | — | — | EP | disclosed |