Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7593761 | 0.95 | NAAA (0.44) | ALDH1A1TSHRHCAR2NAAACES2 | |
| SCHEMBL7595681 | 0.89 | HCAR2 (0.34) | ALDH1A1TSHRHCAR2ESR1CES2 | |
| SCHEMBL17281288 | 0.85 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL758493 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRLMNA | |
| SCHEMBL13705952 | 0.80 | NAAA (0.44) | ALDH1A1TSHRHCAR2NAAACES2 | |
| SCHEMBL13705968 | 0.79 | NAAA (0.47) | ALDH1A1TSHRHCAR2NAAACES2 | |
| SCHEMBL13705962 | 0.79 | NAAA (0.47) | ALDH1A1TSHRHCAR2NAAACES2 | |
| SCHEMBL13705953 | 0.79 | NAAA (0.47) | ALDH1A1TSHRHCAR2NAAACES2 | |
| SCHEMBL13705955 | 0.79 | NAAA (0.47) | ALDH1A1TSHRHCAR2NAAACES2 | |
| SCHEMBL13705963 | 0.79 | NAAA (0.47) | ALDH1A1TSHRHCAR2NAAACES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | disclosed |
| 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 |