Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 2/20 | 0.37 |
| ▸ | PPIB | P23284 | 1/20 | 0.37 |
| ▸ | PPIG | Q13427 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9688586 | 0.99 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL9688596 | 0.99 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL9688593 | 0.99 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL10740465 | 0.83 | OPRM1 (0.42) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL9688043 | 0.82 | OPRM1 (0.41) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL10763462 | 0.82 | OPRM1 (0.43) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL10765531 | 0.81 | OPRM1 (0.42) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL10765534 | 0.81 | OPRM1 (0.42) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL10765528 | 0.81 | OPRM1 (0.42) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL10538576 | 0.80 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 |
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 5 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 | claimed |
| EP-0237169-A1 | 5-Substituted octahydroindolizine analgesics compounds and 7-keto intermediates | McNeilab, Inc. (US) | 1987-09-16 | — | — | EP | claimed |
| EP-0237169-B1 | 5-SUBSTITUTED OCTAHYDROINDOLIZINE ANALGESICS COMPOUNDS AND 7-KETO INTERMEDIATES | McNeilab, Inc. (US) | 1992-07-08 | — | — | 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 |