Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10747176 | 0.84 | KMT2A (0.38) | KMT2AALDH1A1MAPK1POLBMAPT | |
| SCHEMBL9687438 | 0.76 | TSHR (0.43) | ALDH1A1MAPK1GAA | |
| SCHEMBL9687433 | 0.76 | TSHR (0.43) | ALDH1A1MAPK1GAA | |
| SCHEMBL9687425 | 0.76 | TSHR (0.43) | ALDH1A1MAPK1GAA | |
| SCHEMBL9687835 | 0.72 | ALDH1A1 (0.42) | KMT2AALDH1A1MAPK1KDM4EGAA | |
| Hydrochloric Acid SCHEMBL9688586 | 0.71 | ALDH1A1 (0.41) | KMT2AALDH1A1MAPK1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9688596 | 0.71 | ALDH1A1 (0.41) | KMT2AALDH1A1MAPK1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9688593 | 0.71 | ALDH1A1 (0.41) | KMT2AALDH1A1MAPK1KDM4EMAPT | |
| SCHEMBL13660514 | 0.71 | CHRNB2 (0.49) | ALDH1A1MCOLN3MAPT | |
| SCHEMBL25554158 | 0.69 | GRM7 (0.49) | KMT2AALDH1A1MAPTGAA |
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 |