Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2798675 | 0.83 | CYP2C9 (0.50) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL22940 | 0.79 | HTR2A (0.42) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL24542 | 0.79 | HTR2A (0.42) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL4900842 | 0.78 | KCNN4 (0.45) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL73256 | 0.78 | CYP2C9 (0.55) | KCNN4ALDH1A1CES2CES1HTR2A | |
| Bromomethane SCHEMBL3178702 | 0.78 | CYP2C9 (0.46) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL17420551 | 0.77 | KCNN4 (0.44) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL29718828 | 0.77 | KCNN4 (0.44) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL785777 | 0.77 | KCNN4 (0.44) | KCNN4ALDH1A1CES2CES1HTR2A | |
| SCHEMBL30501925 | 0.77 | KCNN4 (0.44) | KCNN4ALDH1A1CES2CES1HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029515-A1 | METAL COMPLEXES COMPRISING A LIGAND DERIVED FROM 2-ARYL-2-HYDROXYACETIC ACID AND A DIVALENT OR TRIVALENT METAL CATION, AND THEIR USE | Clariant Specialty Fine Chemicals (France) (FR) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007135109-A1 | METAL COMPLEXES COMPRISING A LIGAND DERIVED FROM 2-ARYL-2-HYDROXYACETIC ACID AND A DIVALENT OR TRIVALENT METAL CATION, AND THEIR USE | CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) | 2007-11-29 | — | — | WO | disclosed |