Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6380515 | 0.81 | MAPT (0.37) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| SCHEMBL522227 | 0.80 | ESR1 (0.55) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| SCHEMBL196046 | 0.78 | ESR1 (0.53) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| SCHEMBL6578769 | 0.78 | SMN1; SMN2 (0.53) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| SCHEMBL27830419 | 0.77 | THRB (0.41) | SMN1; SMN2MAPTHPGDALDH1A1HSD17B10 | |
| SCHEMBL522219 | 0.77 | ESR1 (0.52) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| SCHEMBL8464048 | 0.76 | METAP2 (0.39) | SMN1; SMN2MAPTHPGDALDH1A1HSD17B10 | |
| SCHEMBL27312580 | 0.75 | ALDH1A1 (0.46) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| Alcohol SCHEMBL28160506 | 0.75 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPTHPGDALDH1A1GAA | |
| SCHEMBL8444533 | 0.74 | TSHR (0.33) | SMN1; SMN2NPC1ESR1 |
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 |