Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1764670 | 0.83 | TSHR (0.56) | TSHRMAPK1TDP1CYP3A4ALDH1A1 | |
| SCHEMBL10973912 | 0.77 | TSHR (0.34) | TSHRMAPK1TDP1CYP3A4LMNA | |
| SCHEMBL28326049 | 0.74 | AHR (0.52) | TSHRCYP3A4ALDH1A1LMNATP53 | |
| SCHEMBL10972079 | 0.72 | TSHR (0.34) | TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL10969541 | 0.72 | TSHR (0.34) | TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL7943012 | 0.72 | TSHR (0.65) | TSHRMAPK1TDP1CYP3A4ALDH1A1 | |
| SCHEMBL30965839 | 0.72 | TSHR (0.65) | TSHRMAPK1TDP1CYP3A4ALDH1A1 | |
| SCHEMBL11548525 | 0.70 | TSHR (0.65) | TSHRMAPK1TDP1CYP3A4LMNA | |
| SCHEMBL27413372 | 0.68 | TSHR (0.43) | TSHRMAPK1TDP1CYP3A4ALDH1A1 | |
| SCHEMBL27479346 | 0.68 | TSHR (0.61) | TSHRMAPK1TDP1CYP3A4ALDH1A1 |
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 |