Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 3/20 | 0.34 |
| ▸ | F13A1 | P00488 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TGM1 | P22735 | 1/20 | 0.34 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1129069 | 0.86 | CYP2A6 (0.42) | CYP2C19CYP1A2CYP2A6SMN1; SMN2HTR2A | |
| SCHEMBL27372777 | 0.78 | HSD17B10 (0.39) | CYP2A6LMNA | |
| SCHEMBL11042692 | 0.78 | MAPT (0.42) | CYP2C19CYP1A2LMNA | |
| SCHEMBL1335929 | 0.77 | CYP2D6 (0.41) | CYP2C19CYP2A6LMNA | |
| SCHEMBL28583238 | 0.75 | CYP3A4 (0.43) | — | |
| SCHEMBL27373192 | 0.75 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2A6TGM2F13A1 | |
| SCHEMBL12333611 | 0.74 | SLC6A2 (0.37) | CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL321965 | 0.70 | CYP2A6 (0.40) | CYP2C19CYP1A2CYP2A6SMN1; SMN2HTR2A | |
| SCHEMBL22590138 | 0.70 | CYP2A6 (0.40) | CYP2C19CYP1A2CYP2A6SMN1; SMN2HTR2A | |
| SCHEMBL7131926 | 0.70 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2A6TGM2F13A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1468994-B1 | Process for preparing cyclic amine substituted phenyl-alkyl-ketones | BASF SE (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-0805152-B1 | Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation | CIBA SC HOLDING AG (CH) | 2005-06-08 | — | — | EP | disclosed |
| EP-1468994-A1 | Process for preparing cyclic amine substituted phenyl-alkyl-ketones | Ciba SC Holding AG (CH) | 2004-10-20 | — | — | EP | disclosed |
| US-6191182-B1 | SUBJECTING P-HALOPHENYL ALKYL KETONE TO AMINOLYSIS WITH CYCLIC SECONDARY AMINE TO FORM CYCLIC AMINE-SUBSTITUTED PHENYL ALKYL KETONE; HALOGINATION AND REACTING WITH AMINE COMPOUND; STEVENS REARRANGEMENT UNDER BASIC CONDITION | CIBA SPECIALTY CHEMCIALS CORPORATION | 2001-02-20 | — | — | US | disclosed |
| US-5977357-A | Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof | CIBA SPECIALTY CHEMICAL CORPORATION (US) | 1999-11-02 | — | — | US | disclosed |
| US-5795985-A | Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-08-18 | — | — | US | disclosed |
| EP-0805152-A2 | Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation | Ciba SC Holding AG (CH) | 1997-11-05 | — | — | EP | disclosed |