Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866892 | 0.81 | CES2 (0.50) | CES2CES1ALOX15ALDH1A1 | |
| SCHEMBL230343 | 0.77 | CES2 (0.42) | CES2CES1DPP4 | |
| SCHEMBL9866909 | 0.77 | ALDH1A1 (0.44) | CES2CES1DPP4DRD2CYP2D6 | |
| SCHEMBL30323082 | 0.71 | CES2 (0.52) | CES2CES1CYP2D6ALDH1A1 | |
| SCHEMBL20524724 | 0.71 | CES2 (0.52) | CES2CES1CYP2D6ALDH1A1 | |
| SCHEMBL3087941 | 0.70 | PARP1 (0.63) | CES2CES1PARP1 | |
| Hydrochloric Acid SCHEMBL15567881 | 0.70 | CES2 (0.50) | CES2CES1CYP2D6ALDH1A1 | |
| SCHEMBL31220894 | 0.70 | PARP1 (0.63) | CES2CES1PARP1 | |
| Hydrochloric Acid SCHEMBL31196625 | 0.70 | CES2 (0.50) | CES2CES1CYP2D6ALDH1A1 | |
| SCHEMBL22545393 | 0.70 | NAPRT (0.50) | PARP1USP2CYP2D6ALOX15ALDH1A1 |
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 |