Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30816696 | 0.93 | ALDH1A1 (0.42) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL11862205 | 0.93 | ALDH1A1 (0.42) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL4062591 | 0.83 | CES2 (0.39) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL29094042 | 0.79 | ACHE (0.31) | — | |
| SCHEMBL11486407 | 0.79 | HPGD (0.33) | HPGD | |
| SCHEMBL9844828 | 0.79 | CCR2 (0.32) | HPGDKMT2A | |
| SCHEMBL4060558 | 0.75 | HPGD (0.30) | HPGD | |
| Trichloroacetic Acid SCHEMBL11864292 | 0.75 | CES2 (0.38) | CES2CES1ALDH1A1ATMTDP1 | |
| SCHEMBL5182959 | 0.75 | CA3 (0.42) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL8849876 | 0.75 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0525019-A1 | PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE | PFIZER INC. (US) | 1993-02-03 | — | — | EP | claimed |
| WO-1991016287-A1 | PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE | PFIZER INC. (US) | 1991-10-31 | — | — | WO | claimed |
| US-3992459-A | BIARYL COUPLING BY DIAZOTIZATION | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | claimed |
| EP-4594311-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | Syngenta Crop Protection AG (CH) | 2025-08-06 | — | — | EP | disclosed |
| WO-2024068947-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2024-04-04 | — | — | WO | disclosed |
| EP-0458823-B1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1993-10-13 | — | — | EP | disclosed |
| US-5245039-A | PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-09-14 | — | — | US | disclosed |
| EP-0525019-A1 | PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE | PFIZER INC. (US) | 1993-02-03 | — | — | EP | disclosed |
| EP-0525019-A1 | PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE | PFIZER INC. (US) | 1993-02-03 | — | — | EP | disclosed |
| EP-0458823-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. | BOEHRINGER MANNHEIM ITALIA (IT) | 1991-12-04 | — | — | EP | disclosed |
| WO-1991016287-A1 | PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE | PFIZER INC. (US) | 1991-10-31 | — | — | WO | disclosed |
| WO-1991016287-A1 | PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE | PFIZER INC. (US) | 1991-10-31 | — | — | WO | disclosed |
| WO-1990009376-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-23 | — | — | WO | disclosed |
| EP-0383320-A1 | A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-22 | — | — | EP | disclosed |
| US-4847442-A | Process for the preparation of difluorobenzenes | ALLIED-SIGNAL INC. (US) | 1989-07-11 | — | — | US | disclosed |
| US-4216340-A | Preparation of 5-(2,4-difluorophenyl)salicylic acid and derivatives | MERCK & CO., INC. (US) | 1980-08-05 | — | — | US | disclosed |
| US-3992459-A | BIARYL COUPLING BY DIAZOTIZATION | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | disclosed |