Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ASPH | Q12797 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | RXRB | P28702 | 2/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7187211 | 0.85 | CES2 (0.46) | CES2GPR35ALDH1A1HPGDCYP3A4 | |
| SCHEMBL7181207 | 0.85 | CES2 (0.46) | CES2GPR35ALDH1A1HPGDCYP3A4 | |
| SCHEMBL2492700 | 0.84 | CASP1 (0.47) | CES2GPR35KDM4EALDH1A1HPGD | |
| SCHEMBL2515684 | 0.83 | GPR35 (0.46) | CES2GPR35KDM4EALDH1A1HPGD | |
| SCHEMBL27887866 | 0.81 | RXRA (0.53) | CES2GPR35KDM4EALDH1A1HPGD | |
| SCHEMBL28953896 | 0.81 | ASPH (0.44) | CES2GPR35KDM4EALDH1A1HPGD | |
| SCHEMBL30739915 | 0.80 | CYP3A4 (0.46) | KDM4EALDH1A1HPGDHSD17B10ASPH | |
| SCHEMBL13955645 | 0.80 | CYP3A4 (0.59) | CES2GPR35KDM4EALDH1A1HPGD | |
| SCHEMBL20045608 | 0.80 | CYP3A4 (0.46) | KDM4EALDH1A1HPGDHSD17B10ASPH | |
| SCHEMBL4847229 | 0.79 | CES2 (0.47) | CES2GPR35KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6268527-B1 | REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-07-31 | — | — | US | claimed |
| US-6268527-B1 | REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-07-31 | — | — | US | disclosed |