Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8204151 | 0.98 | ALDH1A1 (0.44) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL67905 | 0.83 | ALDH1A1 (0.58) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL68495 | 0.77 | ALDH1A1 (0.56) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL8204152 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CHRM2LMNAHTR1AGAA | |
| SCHEMBL23787609 | 0.76 | ALDH1A1 (0.61) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL30604754 | 0.74 | ALDH1A1 (0.65) | ALDH1A1PAOXTSHRFAAH | |
| SCHEMBL65382 | 0.74 | MEN1 (0.46) | ALDH1A1CHRM2LMNAHTR1AGAA | |
| SCHEMBL611933 | 0.74 | ALDH1A1 (0.58) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL13003549 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CHRM2LMNAHTR1AGAA | |
| SCHEMBL7796998 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CHRM2LMNAHTR1AGAA |
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-0729938-B1 | A method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS INC (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-5945572-A | Method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS, INC. (JP) | 1999-08-31 | — | — | US | disclosed |
| US-5847227-A | Method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0729938-A2 | A method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |