Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 2/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3586865 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL7440685 | 0.95 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28739289 | 0.84 | CYP2C9 (0.53) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL2369774 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28140482 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL6051357 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL328867 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28192 | 0.79 | ALDH1A1 (0.74) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL5285943 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL7437199 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770775-B2 | REACTING ACID HALIDES WITH A CINCHONA ALKALOID CATALYST AND A BASE TO FORM INTERMEDIATE KETENES, WHICH ARE THEN REACTED WITH ELECTROPHILIC HALOGENATING REAGENTS TO PRODUCE ALPHA-HALO-ESTERS WITH HIGH ENANTIOMERIC EXCESS | WACK HARALD (DE) | 2004-08-03 | — | — | US | claimed |
| US-6770775-B2 | REACTING ACID HALIDES WITH A CINCHONA ALKALOID CATALYST AND A BASE TO FORM INTERMEDIATE KETENES, WHICH ARE THEN REACTED WITH ELECTROPHILIC HALOGENATING REAGENTS TO PRODUCE ALPHA-HALO-ESTERS WITH HIGH ENANTIOMERIC EXCESS | WACK HARALD (DE) | 2004-08-03 | — | — | US | disclosed |
| US-20030050501-A1 | Method of synthesizing optically enriched alpha-halo-esters, and product and composition therefrom | WACK HARALD (DE) | 2003-03-13 | — | — | US | disclosed |