Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.43 |
| ▸ | PDE2A | O00408 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.42 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1198647 | 0.87 | PTPN1 (0.54) | PTPN1GSK3BCES2ALDH1A1HPGD | |
| SCHEMBL5951860 | 0.83 | PDE2A (0.50) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL30634441 | 0.81 | PTPN1 (0.56) | PTPN1GSK3BCES2ALDH1A1KDM4E | |
| SCHEMBL2097720 | 0.81 | CES2 (0.66) | PTPN1GSK3BCES2ALDH1A1KDM4E | |
| SCHEMBL1960700 | 0.81 | PTPN1 (0.56) | PTPN1GSK3BCES2ALDH1A1KDM4E | |
| SCHEMBL30006617 | 0.81 | PTPN1 (0.56) | PTPN1GSK3BCES2ALDH1A1KDM4E | |
| SCHEMBL7786271 | 0.81 | PTPN1 (0.56) | PTPN1GSK3BCES2ALDH1A1KDM4E | |
| SCHEMBL21462078 | 0.81 | PTPN1 (0.56) | PTPN1GSK3BCES2ALDH1A1KDM4E | |
| SCHEMBL8617573 | 0.81 | KDM4E (0.61) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8493470 | 0.81 | ALDH1A1 (0.48) | CES2ALDH1A1KDM4EHPGDHSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5142092-A | Chemical intermediate for making fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | claimed |
| EP-0365914-B1 | FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES | BAYER AG (DE) | 1992-07-22 | — | — | EP | claimed |
| EP-0365914-A2 | Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles | BAYER AG (DE) | 1990-05-02 | — | — | EP | claimed |
| EP-0365913-B1 | Substituted 2-aminothiazoles | BAYER AG (DE) | 1993-11-18 | — | — | EP | disclosed |
| US-5142092-A | Chemical intermediate for making fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | disclosed |
| EP-0365914-B1 | FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES | BAYER AG (DE) | 1992-07-22 | — | — | EP | disclosed |
| US-5104879-A | ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-14 | — | — | US | disclosed |