Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | PON1 | P27169 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10976219 | 0.83 | TSHR (0.58) | TSHRIDO1CYP3A4MAPK1TDP1 | |
| SCHEMBL5436712 | 0.81 | SLC6A4 (0.43) | TSHRIDO1CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL10969471 | 0.77 | TSHR (0.40) | TSHR | |
| SCHEMBL10969571 | 0.77 | IDO1 (0.41) | TSHRIDO1 | |
| SCHEMBL1538960 | 0.74 | TSHR (0.41) | TSHRCYP3A4MAPK1TDP1PON1 | |
| SCHEMBL1843312 | 0.74 | TSHR (1.00) | TSHRPNMTIDO1CYP3A4MAPK1 | |
| SCHEMBL24732807 | 0.73 | IDO1 (0.42) | TSHRPNMTIDO1MAPK1TDP1 | |
| SCHEMBL29809253 | 0.73 | IDO1 (0.42) | TSHRPNMTIDO1MAPK1TDP1 | |
| SCHEMBL10969991 | 0.72 | TSHR (0.40) | TSHR | |
| SCHEMBL10970057 | 0.72 | IDO1 (0.41) | TSHRIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0077853-B1 | NOVEL TRIFLUOROMETHYL BENZAL CHLORIDES AND PROCESS FOR THE PREPARATION THEREOF | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-03-13 | — | — | EP | disclosed |
| EP-0077853-A1 | Novel trifluoromethyl benzal chlorides and process for the preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-05-04 | — | — | EP | disclosed |
| US-4367348-A | Novel trifluoromethyl benzal chlorides and process for the preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-01-04 | — | — | US | disclosed |