Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | STS | P08842 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597554 | 0.98 | CYP19A1 (0.37) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL7595194 | 0.94 | CYP19A1 (0.34) | CYP19A1EPHX1STSGPR35 | |
| SCHEMBL7590660 | 0.90 | GPR35 (0.30) | GPR35 | |
| SCHEMBL107383 | 0.85 | CYP19A1 (0.40) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL686576 | 0.85 | CYP19A1 (0.40) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL686230 | 0.85 | CYP19A1 (0.40) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL18785946 | 0.85 | CYP19A1 (0.40) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL18785944 | 0.85 | CYP19A1 (0.40) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL19042433 | 0.84 | CA1 (0.42) | CYP19A1EPHX1STSCA1CA2 | |
| SCHEMBL107375 | 0.83 | ALDH1A1 (0.40) | CYP19A1EPHX1STSCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6307091-B1 | TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. | UBE INDUSTRIES, LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| US-6160171-A | Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0968994-A1 | SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2000-01-05 | — | — | EP | disclosed |