Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 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 | |
|---|---|---|---|---|
| SCHEMBL11208151 | 0.91 | OPRM1 (0.39) | OPRM1DRD3DRD2FFAR1CES2 | |
| SCHEMBL11204292 | 0.84 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDMAPTL3MBTL1 | |
| SCHEMBL11208198 | 0.79 | ALDH1A1 (0.47) | FFAR1CES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11264686 | 0.73 | ALDH1A1 (0.42) | FFAR1CES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6688633 | 0.72 | MAPT (0.43) | FFAR1ALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL8324373 | 0.72 | FFAR1 (0.41) | FFAR1CES2CES1KCNH2ALDH1A1 | |
| SCHEMBL11201978 | 0.72 | LMNA (0.43) | FFAR1CES1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL17766185 | 0.71 | FFAR1 (0.39) | FFAR1ALDH1A1SMN1; SMN2HPGDMTNR1A | |
| SCHEMBL9131481 | 0.71 | CES1 (0.41) | FFAR1CES1ALDH1A1MAPTGAA | |
| SCHEMBL11265491 | 0.69 | FFAR1 (0.38) | FFAR1CES2CES1ALDH1A1SMN1; SMN2 |
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-0029719-B1 | VULCANIZABLE RUBBER COMPOSITIONS INHIBITED FROM PREMATURE VULCANIZATION BY METHYLENE THIOETHERS, AND NOVEL METHYLENE THIOETHERS | MONSANTO COMPANY (US) | 1983-02-16 | — | — | EP | disclosed |
| US-4342705-A | CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS | MONSANTO COMPANY (US) | 1982-08-03 | — | — | US | disclosed |
| EP-0029719-A1 | Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers | MONSANTO COMPANY (US) | 1981-06-03 | — | — | EP | disclosed |
| US-4271050-A | Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers | MONSANTO COMPANY (US) | 1981-06-02 | — | — | US | disclosed |