Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9766191 | 0.86 | TSHR (0.41) | MAPK1TSHRRECQLKMT2AMEN1 | |
| SCHEMBL9766021 | 0.84 | TSHR (0.51) | MAPK1TSHRRECQLHTTTP53 | |
| SCHEMBL19478141 | 0.78 | MAPK1 (0.42) | MAPK1TSHRRECQLHTTTP53 | |
| SCHEMBL9785419 | 0.78 | TSHR (0.42) | MAPK1TSHRRECQLHTTTP53 | |
| SCHEMBL19478239 | 0.76 | TSHR (0.41) | MAPK1TSHRRECQLNPSR1KMT2A | |
| SCHEMBL9766196 | 0.76 | GCGR (0.33) | — | |
| SCHEMBL9785613 | 0.76 | NR1H2 (0.44) | GAARECQLHTTTP53NPSR1 | |
| SCHEMBL9785413 | 0.74 | TSHR (0.40) | MAPK1TSHRRECQLMAPTHPGD | |
| SCHEMBL9766131 | 0.72 | — | — | |
| SCHEMBL23169065 | 0.71 | TSHR (0.53) | MAPK1TSHRGAARECQLHTT |
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-0266947-B1 | HALOGENATED ESTERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-04 | — | — | EP | disclosed |
| US-4853414-A | 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-08-01 | — | — | US | disclosed |
| EP-0266947-A2 | Halogenated esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-11 | — | — | EP | disclosed |