Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688093 | 1.00 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4MAPK1ALDH1A1 | |
| SCHEMBL9688095 | 1.00 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4MAPK1ALDH1A1 | |
| SCHEMBL27826292 | 0.79 | CHRNB2 (0.53) | CHRNB2CHRNA7CHRNA4ALDH1A1S1PR1 | |
| SCHEMBL9689054 | 0.77 | CHRNB2 (0.50) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL9689082 | 0.76 | CHRNB2 (0.60) | CHRNB2CHRNA7CHRNA4ALDH1A1S1PR1 | |
| SCHEMBL9688117 | 0.72 | SLC18A2 (0.47) | — | |
| SCHEMBL8593927 | 0.72 | CYP1A2 (0.40) | CHRNB2CHRNA7CHRNA4ALDH1A1S1PR1 | |
| SCHEMBL28328699 | 0.70 | CHRNB2 (0.50) | CHRNB2CHRNA7CHRNA4ALDH1A1S1PR1 | |
| SCHEMBL546576 | 0.70 | MAPK1 (0.50) | MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL28114794 | 0.69 | CHRNB2 (0.34) | CHRNB2CHRNA7CHRNA4ALDH1A1CYP1A2 |
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 2 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 |
| US-4689329-A | 5-substituted octahydroindolizine analgesics compounds and 7-keto intermediates | MCNEILAB, INC. (US) | 1987-08-25 | — | — | US | disclosed |