Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 14/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11684162 | 0.79 | TP53 (0.48) | TP53TDP1PDE10AESR1ESR2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8575352 | 0.78 | ESR1 (0.37) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL72006 | 0.77 | TP53 (0.50) | TP53TDP1PDE10AESR1ESR2 | |
| Perchlorate SCHEMBL9574136 | 0.72 | LMNA (0.40) | TP53ESR1ESR2ARKDM4E | |
| SCHEMBL13799732 | 0.71 | ESR1 (0.44) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL11522267 | 0.69 | ESR1 (0.42) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL9574234 | 0.69 | — | — | |
| Perchlorate SCHEMBL8757712 | 0.69 | ACHE (0.42) | TDP1KDM4EALDH1A1HPGDALOX12 | |
| SCHEMBL19314239 | 0.68 | TP53 (0.41) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL3190521 | 0.68 | ESR1 (0.47) | TP53TDP1PDE10AESR1ESR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5216125-A | Active ester used for production of acylated amino acids | SANSHIN KAGAKU KOGYO CO. LTD. (JP) | 1993-06-01 | — | — | US | disclosed |
| EP-0346756-B1 | PROCESS FOR PRODUCTION OF SULFONIUM COMPOUNDS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1992-10-28 | — | — | EP | disclosed |
| US-5117031-A | ACTIVE ESTERS USED FOR PRODUCTION OF ESTERS OR AMIDES AND PROCESS FOR PRODUCING ESTERS OR AMIDES | SANSHIN KAGAKU KOGYO CO. LTD. (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0245662-B1 | P-HYDROXYPHENYLSULFONIUM SALTS AND THEIR USE IN THE PREPARATION OF ESTERS AND AMIDES | SANSHIN KAGAKU KOGYO CO., LTD. (JP) | 1991-08-07 | — | — | EP | disclosed |
| US-5021197-A | Reacting a p-dialkylsulfoniophenol with a carbonyl halogenide in the presence of a secondary amine | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0346756-A1 | Process for production of sulfonium compounds | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1989-12-20 | — | — | EP | disclosed |
| US-4857656-A | Active esters used for production of esters or amides and process for producing esters or amides | SANSHIN KAGAKU KOGYO CO., LTD. (JP) | 1989-08-15 | — | — | US | disclosed |
| EP-0245662-A1 | p-Hydroxyphenylsulfonium salts and their use in the preparation of esters and amides | SANSHIN KAGAKU KOGYO CO., LTD. (JP) | 1987-11-19 | — | — | EP | disclosed |