Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EYA3 | Q99504 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19415512 | 1.00 | TAAR1 (0.43) | TAAR1IDO1GABRA1GABRB2CYP1A2 | |
| SCHEMBL5988255 | 0.84 | GABRA1 (0.46) | TAAR1GABRA1GABRB2LMNATRPA1 | |
| SCHEMBL6683911 | 0.82 | GABRA1 (0.52) | TAAR1IDO1GABRA1GABRB2CYP1A2 | |
| SCHEMBL28059842 | 0.80 | TAAR1 (0.45) | TAAR1IDO1GABRA1GABRB2CYP1A2 | |
| SCHEMBL3243108 | 0.79 | TAAR1 (0.50) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4726810 | 0.79 | TAAR1 (0.41) | TAAR1IDO1GABRA1GABRB2CYP1A2 | |
| SCHEMBL1006209 | 0.78 | SLC6A2 (0.50) | TAAR1IDO1CYP1A2CYP2D6LMNA | |
| SCHEMBL24272357 | 0.78 | IDO1 (0.42) | TAAR1IDO1GABRA1GABRB2CYP1A2 | |
| SCHEMBL1129263 | 0.76 | CYP2D6 (0.41) | GABRA1GABRB2CYP2D6LMNATRPA1 | |
| SCHEMBL6464989 | 0.76 | GABRA1 (0.40) | GABRA1GABRB2LMNATRPA1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008013949-A2 | MOLECULAR DESIGN OF THERMOSTABLE ALCOHOL DEHYDROGENASE FOR SYNTHESIS FOR CHIRAL AROMATIC ALCOHOLS | MICHIGAN STATE UNIVERSITY (US) | 2008-01-31 | — | — | WO | claimed |
| EP-2432783-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | Abbott Laboratories (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135560-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2010-11-25 | — | — | WO | disclosed |
| EP-2010666-A1 | PROCESS FOR DYNAMIC KINETIC RESOLUTION (DKR) OF RACEMIC COMPOUNDS IN (HYDRO) FLUOROCARBON SOLVENTS | Ineos Fluor Holdings Limited (GB) | 2009-01-07 | — | — | EP | disclosed |
| WO-2008013949-A2 | MOLECULAR DESIGN OF THERMOSTABLE ALCOHOL DEHYDROGENASE FOR SYNTHESIS FOR CHIRAL AROMATIC ALCOHOLS | MICHIGAN STATE UNIVERSITY (US) | 2008-01-31 | — | — | WO | disclosed |
| WO-2007129018-A1 | PROCESS FOR DYNAMIC KINETIC RESOLUTION (DKR) OF RACEMIC COMPOUNDS IN (HYDRO) FLUOROCARBON SOLVENTS | INEOS FLUOR HOLDINGS LIMITED (GB) | 2007-11-15 | — | — | WO | disclosed |
| US-20070184449-A1 | Method for the identification of a metabolic pathway family by means of positive selection | LIBRAGEN (FR) | 2007-08-09 | — | — | US | disclosed |