Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16807856 | 1.00 | LCK (0.42) | LCKHRH3CA12CA2CA1 | |
| SCHEMBL14086886 | 1.00 | LCK (0.42) | LCKHRH3CA12CA2CA1 | |
| SCHEMBL578516 | 0.97 | LCK (0.44) | LCKHRH3CA12CA2CA1 | |
| SCHEMBL1273910 | 0.97 | LCK (0.44) | LCKHRH3CA12CA2CA1 | |
| SCHEMBL18792903 | 0.92 | LCK (0.38) | LCK | |
| SCHEMBL12552468 | 0.88 | LCK (0.50) | LCKDNM1TSHRMEN1KMT2A | |
| SCHEMBL18912887 | 0.87 | CHRM2 (0.37) | LCKCA12CA2CA14CA9 | |
| SCHEMBL18067187 | 0.87 | CYP1A2 (0.38) | LCKCA12CA2TSHRALDH1A1 | |
| Ethylenediamine SCHEMBL7607011 | 0.87 | DNM1 (0.35) | LCKHRH3CA12CA2CA1 | |
| Ethylenediamine SCHEMBL28853668 | 0.87 | DNM1 (0.35) | LCKHRH3CA12CA2CA1 |
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 |