Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443794 | 0.85 | HDAC4 (0.33) | HDAC4CES2CES1ALDH1A1MAPT | |
| SCHEMBL1128052 | 0.81 | CES2 (0.43) | CES2CES1ALDH1A1 | |
| SCHEMBL3413433 | 0.81 | TDP1 (0.35) | ALDH1A1MAPT | |
| SCHEMBL2234260 | 0.79 | PKM (0.34) | CES2CES1MAPT | |
| SCHEMBL15111101 | 0.79 | CA1 (0.33) | ALDH1A1MAPTKDM4E | |
| SCHEMBL2932458 | 0.78 | MDM2 (0.39) | ALDH1A1 | |
| SCHEMBL20551407 | 0.78 | MDM2 (0.39) | ALDH1A1 | |
| SCHEMBL6443568 | 0.78 | ESR1 (0.41) | ALDH1A1KDM4E | |
| SCHEMBL1701612 | 0.78 | CA3 (0.42) | CES2CES1 | |
| SCHEMBL5786635 | 0.77 | KDM4E (0.38) | ALDH1A1MAPTKDM4EPTGS1 |
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-2379552-A1 | SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070008-A1 | SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2010-06-24 | — | — | WO | disclosed |
| EP-1685100-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | Merck Sharp & Dohme Limited (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005047247-A1 | NOVEL1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |
| WO-2005047246-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |