Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.38 |
| ▸ | PTGIR | P43119 | 2/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11392586 | 0.95 | PSMB8 (0.41) | HTR2APSMB8PSMB5HTR2CHTR2B | |
| SCHEMBL11291838 | 0.82 | PSMB8 (0.43) | HTR2APSMB8PSMB5HTR2CHTR2B | |
| SCHEMBL11301390 | 0.81 | HTR2A (0.44) | HTR2AHTR2CHTR2BHTR1ACXCR4 | |
| SCHEMBL11296732 | 0.80 | PSMB8 (0.45) | HTR2APSMB8PSMB5HTR1AMTNR1A | |
| SCHEMBL10669534 | 0.80 | PSMB5 (0.49) | PSMB8PSMB5MAPTALDH1A1HPGD | |
| SCHEMBL11297234 | 0.79 | HTR2A (0.52) | HTR2APSMB8PSMB5MAPTLMNA | |
| SCHEMBL11395096 | 0.78 | PSMB8 (0.42) | HTR2APSMB8PSMB5HTR1AMAPT | |
| SCHEMBL15016013 | 0.78 | MTNR1A (0.51) | PSMB8PSMB5MTNR1AMAPTMEN1 | |
| SCHEMBL1965743 | 0.77 | MPO (0.60) | HTR2AHTR2CHTR2BCXCR4MTNR1A | |
| SCHEMBL4130976 | 0.77 | PSMB8 (0.46) | PSMB8PSMB5HTR1AMTNR1AMEN1 |
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 |