Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL10976215 | 0.84 | TSHR (0.58) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL10969460 | 0.76 | TSHR (0.41) | TSHR | |
| SCHEMBL10969570 | 0.76 | TSHR (0.41) | TSHRPDE2A | |
| SCHEMBL1843312 | 0.75 | TSHR (1.00) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL10969987 | 0.74 | TSHR (0.40) | TSHR | |
| SCHEMBL10970053 | 0.74 | PDE2A (0.42) | TSHRPDE2A | |
| SCHEMBL7594119 | 0.73 | TP53 (0.50) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL29700366 | 0.73 | TP53 (0.50) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL11548525 | 0.71 | TSHR (0.65) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL28773626 | 0.70 | IDO1 (0.34) | — |
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 |