Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14231067 | 0.80 | ELANE (0.46) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL14230971 | 0.80 | ELANE (0.46) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL9851969 | 0.70 | HTR3E (0.55) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL29591363 | 0.70 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL718095 | 0.70 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL747207 | 0.70 | CTSK (0.38) | CNR2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10395823 | 0.69 | HTR3E (0.54) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL717435 | 0.67 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL29990216 | 0.67 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1HSD11B1 | |
| SCHEMBL4006843 | 0.67 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5057611-A | Intermediates for analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-10-15 | — | — | US | disclosed |
| US-4833244-A | Ethanobenzazepines | HOECHST-ROUSEEL PHARMACEUTICALS INC. (US) | 1989-05-23 | — | — | US | disclosed |
| US-4723009-A | USING 1-OXA-6-AZA SPIRO(2,5)OCTANE COMPOUNDS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-02-02 | — | — | US | disclosed |
| US-4654336-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0200052-A2 | Ethanobenzazepines, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-11-05 | — | — | EP | disclosed |