Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.47 |
| ▸ | UBE2N | P61088 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5272849 | 0.88 | EPHX1 (0.67) | ESR1ESR2EPHX1CHRM1UBE2N | |
| SCHEMBL4664796 | 0.86 | PPARA (0.56) | EPHX1TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3371227 | 0.85 | ESR1 (0.62) | ESR1ESR2EPHX1CHRM1UBE2N | |
| SCHEMBL6049128 | 0.85 | ESR1 (0.83) | ESR1ESR2EPHX1CHRM1UBE2N | |
| SCHEMBL8672896 | 0.83 | EPHX1 (0.53) | EPHX1TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3371208 | 0.83 | ESR1 (0.60) | ESR1ESR2EPHX1CYP2D6CYP2C9 | |
| SCHEMBL28835702 | 0.83 | EPHX1 (0.77) | EPHX1TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22394854 | 0.83 | ESR1 (0.63) | ESR1ESR2EPHX1TDP1CYP3A4 | |
| SCHEMBL27991442 | 0.81 | EPHX1 (0.58) | EPHX1CHRM1UBE2NPPARAPPARG | |
| SCHEMBL27426752 | 0.81 | ESR1 (0.57) | ESR1ESR2EPHX1CHRM1UBE2N |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0325130-B1 | Substituted pyridines | BAYER AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| US-5401746-A | FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-28 | — | — | US | disclosed |
| US-5169857-A | Anticholesterol agents | BAYER AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| US-5006530-A | Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |
| EP-0325130-A2 | Substituted pyridines | BAYER AG (DE) | 1989-07-26 | — | — | EP | disclosed |
| EP-0300278-A2 | Process for the preparation of 2-substituted pyrroles | BAYER AG (DE) | 1989-01-25 | — | — | EP | disclosed |