Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13755913 | 1.00 | CYP1A2 (0.57) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL3017984 | 0.98 | CYP1A2 (0.59) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL2001291 | 0.90 | ALDH1A1 (0.52) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL10820711 | 0.88 | CYP1A2 (0.49) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL66021 | 0.88 | ALDH1A1 (0.54) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL10820650 | 0.85 | CYP1A2 (0.50) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL22261569 | 0.84 | ALDH1A1 (0.46) | CYP1A2ALDH1A1TRPA1GAAMGAM | |
| SCHEMBL10820631 | 0.83 | CYP1A2 (0.51) | CYP1A2ALDH1A1TRPA1GAAMGAM | |
| SCHEMBL23583339 | 0.82 | CYP1A2 (0.59) | CYP1A2ALDH1A1TRPA1GAAALOX15 | |
| SCHEMBL21513122 | 0.82 | ALDH1A1 (0.45) | CYP1A2ALDH1A1TRPA1GAAALOX15 |
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 5 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-6028193-A | CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR | MITSUI CHEMICALS, INC. (JP) | 2000-02-22 | — | — | US | 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 |