Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CDC42 | P60953 | 1/20 | 0.50 |
| ▸ | RAC1 | P63000 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL983848 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1ACP3LDHAL3MBTL1 | |
| SCHEMBL8933321 | 0.84 | ALDH1A1 (0.47) | CYP1A2ALDH1A1ACP3L3MBTL1CES2 | |
| SCHEMBL7017619 | 0.84 | ALDH1A1 (0.57) | CYP1A2ALDH1A1ACP3L3MBTL1PTGS2 | |
| SCHEMBL11778400 | 0.84 | AKR1C3 (0.69) | CYP1A2L3MBTL1AKR1C3AKR1C2PTGS2 | |
| SCHEMBL378101 | 0.82 | KMT2A (0.49) | CYP1A2ALDH1A1CES2CES1NPC1 | |
| SCHEMBL7473317 | 0.82 | PARP10 (0.52) | CYP1A2ALDH1A1ACP3CES2CES1 | |
| SCHEMBL11451243 | 0.81 | MAPT (0.56) | ALDH1A1CES2CES1MAPTTSHR | |
| SCHEMBL3089210 | 0.81 | ALDH1A1 (0.62) | CYP1A2ALDH1A1CES2CES1NPC1 | |
| SCHEMBL6201289 | 0.80 | ALDH1A1 (0.61) | CYP1A2ALDH1A1ACP3L3MBTL1CES2 | |
| SCHEMBL11302672 | 0.80 | SRD5A2 (0.56) | PTGS1CES2CES1TSHRPPARG |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5374656-A | Nervous system disorders, gastrointestinal disorders | RHONE-POULENC RORER, S.A. (FR) | 1994-12-20 | — | — | US | disclosed |