Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CISD2 | Q8N5K1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9766053 | 0.92 | TSHR (0.42) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL9766012 | 0.87 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL523604 | 0.80 | TSHR (0.53) | TSHRMAPK1ALDH1A1NPSR1KDM4E | |
| SCHEMBL27388705 | 0.80 | MEN1 (0.41) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL9766080 | 0.79 | TSHR (0.44) | SMN1; SMN2TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL9766076 | 0.78 | TSHR (0.52) | SMN1; SMN2TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL9766128 | 0.77 | TSHR (0.46) | TSHRMAPK1ALDH1A1NPSR1KDM4E | |
| SCHEMBL8593844 | 0.77 | TSHR (0.46) | SMN1; SMN2TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL30666052 | 0.76 | SMN1; SMN2 (0.38) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 | |
| SCHEMBL31319956 | 0.76 | SMN1; SMN2 (0.38) | SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1 |
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 |