Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.60 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.60 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27826292 | 0.89 | CHRNB2 (0.53) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL28328699 | 0.87 | CHRNB2 (0.50) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL9689054 | 0.87 | CHRNB2 (0.50) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL10992013 | 0.81 | CHRNB2 (0.39) | CHRNB2CHRNA7CHRNA4DPP4CHRNB4 | |
| SCHEMBL12717785 | 0.81 | CHRNB2 (0.42) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL12717782 | 0.79 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL10862942 | 0.79 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL9688088 | 0.76 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL9688093 | 0.76 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL9688095 | 0.76 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0237169-B1 | 5-SUBSTITUTED OCTAHYDROINDOLIZINE ANALGESICS COMPOUNDS AND 7-KETO INTERMEDIATES | McNeilab, Inc. (US) | 1992-07-08 | — | — | EP | disclosed |
| EP-0187711-B1 | OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS | McNeilab, Inc. (US) | 1990-08-29 | — | — | EP | disclosed |
| US-4800207-A | Hexahydropyrrolizine compounds useful as analgesics | MCNEILAB, INC. (US) | 1989-01-24 | — | — | US | disclosed |
| EP-0241298-A2 | 3-diphenyl substituted octahydroindolizine analgesic compounds | McNeilab, Inc. (US) | 1987-10-14 | — | — | EP | disclosed |
| EP-0237169-A1 | 5-Substituted octahydroindolizine analgesics compounds and 7-keto intermediates | McNeilab, Inc. (US) | 1987-09-16 | — | — | EP | disclosed |
| US-4689329-A | 5-substituted octahydroindolizine analgesics compounds and 7-keto intermediates | MCNEILAB, INC. (US) | 1987-08-25 | — | — | US | disclosed |
| US-4683239-A | 3-diphenyl substituted octahydroindolizine analgesic compounds | MCNEILAB, INC. (US) | 1987-07-28 | — | — | US | disclosed |
| EP-0187711-A2 | Octahydroindolizine compounds useful as analgesics | McNeilab, Inc. (US) | 1986-07-16 | — | — | EP | disclosed |
| US-4582836-A | Octahydroindolizine compounds useful as analgesics | MCNEILAB, INC. (US) | 1986-04-15 | — | — | US | disclosed |