Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10758885 | 0.98 | HRH3 (0.59) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10721659 | 0.98 | HRH3 (0.59) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10758882 | 0.98 | HRH3 (0.59) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| SCHEMBL9689930 | 0.92 | HRH3 (0.50) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9689021 | 0.90 | HRH3 (0.48) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| SCHEMBL10717983 | 0.89 | HRH3 (0.55) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| SCHEMBL10718875 | 0.86 | CYP3A4 (0.46) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10718116 | 0.86 | HRH3 (0.48) | HRH3CYP3A4SLC18A3ALDH1A1KDM4E | |
| SCHEMBL4431179 | 0.84 | HRH3 (0.68) | HRH3SLC18A3 | |
| SCHEMBL4431182 | 0.84 | HRH3 (0.68) | HRH3SLC18A3 |
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-0241298-A2 | 3-diphenyl substituted octahydroindolizine analgesic compounds | McNeilab, Inc. (US) | 1987-10-14 | — | — | EP | claimed |
| US-4683239-A | 3-diphenyl substituted octahydroindolizine analgesic compounds | MCNEILAB, INC. (US) | 1987-07-28 | — | — | US | claimed |
| EP-0241298-A2 | 3-diphenyl substituted octahydroindolizine analgesic compounds | McNeilab, Inc. (US) | 1987-10-14 | — | — | EP | disclosed |
| US-4683239-A | 3-diphenyl substituted octahydroindolizine analgesic compounds | MCNEILAB, INC. (US) | 1987-07-28 | — | — | US | disclosed |