Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9868636 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CES2CES1DPP4 | |
| SCHEMBL9867176 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CES2CES1CYP3A4 | |
| SCHEMBL21383653 | 0.82 | HDAC2 (0.44) | RORC | |
| SCHEMBL3088869 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP2D6CYP2C19NPC1MAPK1 | |
| SCHEMBL9866928 | 0.77 | CES2 (0.49) | ALDH1A1CYP2D6CES2CES1DPP4 | |
| SCHEMBL11888910 | 0.76 | CNR1 (0.47) | ALDH1A1CYP2D6CES2CES1CYP3A4 | |
| SCHEMBL9865846 | 0.73 | ALDH1A1 (0.55) | ALDH1A1DPP4DPP7MEN1KMT2A | |
| SCHEMBL1175501 | 0.70 | USP30 (0.47) | DPP4RORC | |
| SCHEMBL21383779 | 0.70 | CES2 (0.46) | ALDH1A1CES2CES1CYP2C19MEN1 | |
| SCHEMBL9868023 | 0.68 | PSEN1 (0.41) | ALDH1A1CYP2D6DPP4DPP7CYP3A4 |
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 6 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 | claimed |
| 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 |