Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | LDHB | P07195 | 2/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28593839 | 0.85 | BCL2 (0.54) | BCL2BCL2L1CALM1IDH1CYP3A4 | |
| Fluoride SCHEMBL28569108 | 0.83 | BCL2 (0.52) | BCL2BCL2L1CALM1IDH1CYP3A4 | |
| SCHEMBL9063880 | 0.82 | IDH1 (0.46) | BCL2BCL2L1CALM1IDH1CYP3A4 | |
| SCHEMBL11247248 | 0.81 | BCL2 (0.42) | BCL2BCL2L1CALM1IDH1CYP3A4 | |
| SCHEMBL8092285 | 0.81 | BCL2 (0.54) | BCL2BCL2L1CALM1CYP3A4CYP2D6 | |
| SCHEMBL11247239 | 0.79 | IDH1 (0.41) | BCL2BCL2L1CALM1IDH1MEN1 | |
| SCHEMBL28062659 | 0.78 | IDH1 (0.35) | BCL2BCL2L1CALM1IDH1CYP3A4 | |
| SCHEMBL11748855 | 0.77 | BCL2 (0.50) | BCL2BCL2L1CALM1CYP3A4CYP2D6 | |
| SCHEMBL8100218 | 0.77 | CALM1 (0.55) | BCL2BCL2L1CALM1IDH1NQO1 | |
| SCHEMBL7819859 | 0.77 | CALM1 (0.48) | BCL2BCL2L1CALM1IDH1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104513126-B | The preparation method and application of the many benzyl toluene of a kind of alkyl or alkyl dibenzyl toluene | ZHAO CHAOHUA (CN) | 2016-02-03 | — | — | CN | claimed |
| CN-104513126-A | Preparation method and applications of alkyl multi-benzyl toluene or alkyl dibenzyl toluene | ZHAO CHAOHUA | 2015-04-15 | — | — | CN | claimed |
| CN-104513126-B | The preparation method and application of the many benzyl toluene of a kind of alkyl or alkyl dibenzyl toluene | ZHAO CHAOHUA (CN) | 2016-02-03 | — | — | CN | disclosed |
| CN-104513126-A | Preparation method and applications of alkyl multi-benzyl toluene or alkyl dibenzyl toluene | ZHAO CHAOHUA | 2015-04-15 | — | — | CN | disclosed |