Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 6/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10879446 | 0.89 | SCN9A (0.47) | ALDH1A1RECQLNR1I2FFAR1FFAR4 | |
| SCHEMBL11538545 | 0.86 | LTA4H (0.54) | ALDH1A1RECQLNR1I2LTA4HPTGS2 | |
| SCHEMBL10876902 | 0.84 | ALDH1A1 (0.53) | ALDH1A1RECQLLTA4HSMN1; SMN2FFAR1 | |
| SCHEMBL10359368 | 0.84 | MAPT (0.55) | ALDH1A1RECQLNR1I2GAAMAPT | |
| SCHEMBL347186 | 0.84 | ALDH1A1 (0.65) | ALDH1A1RECQLNR1I2LTA4HGAA | |
| SCHEMBL27982425 | 0.82 | ALDH1A1 (0.62) | ALDH1A1RECQLNR1I2LTA4HGAA | |
| Ethylene Glycol SCHEMBL27348084 | 0.82 | ALDH1A1 (0.62) | ALDH1A1RECQLNR1I2LTA4HGAA | |
| 2-(4-Chlorphenoxy)-Ethanol SCHEMBL77500 | 0.80 | ALDH1A1 (0.60) | ALDH1A1RECQLNR1I2LTA4HPTGS2 | |
| SCHEMBL9507394 | 0.80 | MAPT (0.50) | ALDH1A1RECQLNR1I2GAAMAPT | |
| SCHEMBL10876824 | 0.80 | SOS1 (0.51) | ALDH1A1RECQLMAPTSMN1; SMN2FFAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0246713-B1 | INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-03-04 | — | — | EP | disclosed |
| US-4625048-A | PESTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1986-11-25 | — | — | US | disclosed |
| EP-0072475-B1 | CARBAMIC ESTERS, PREPARATION THEREOF, PESTICIDAL COMPOSITIONS ON THE BASIS OF THESE COMPOUNDS AND THEIR USE IN COMBATING PESTS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-08-20 | — | — | EP | disclosed |
| EP-0072475-A2 | Carbamic esters, preparation thereof, pesticidal compositions on the basis of these compounds and their use in combating pests | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-02-23 | — | — | EP | disclosed |