Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | EBP | Q15125 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7127476 | 0.86 | RAPGEF3 (0.34) | CYP3A4ALDH1A1ESR1ESR2AR | |
| SCHEMBL7128373 | 0.85 | MIF (0.41) | CYP3A4ALDH1A1ESR1ESR2ABCB1 | |
| SCHEMBL7131094 | 0.83 | EBP (0.39) | CYP3A4ALDH1A1EBPSIGMAR1MEN1 | |
| SCHEMBL5751980 | 0.80 | EBP (0.51) | CYP3A4ALDH1A1ESR1ESR2EBP | |
| SCHEMBL5754191 | 0.80 | CYP3A4 (0.40) | CYP3A4ALDH1A1ARABCB1CYP3A5 | |
| SCHEMBL7126244 | 0.80 | EBP (0.40) | CYP3A4ALDH1A1ESR1ESR2ABCB1 | |
| SCHEMBL7120088 | 0.80 | EBP (0.40) | CYP3A4ALDH1A1ESR1ESR2ABCB1 | |
| SCHEMBL7131765 | 0.80 | MMP2 (0.41) | CYP3A4ALDH1A1ESR1ESR2EBP | |
| SCHEMBL7123137 | 0.80 | EBP (0.40) | CYP3A4ALDH1A1ESR1ESR2ABCB1 | |
| SCHEMBL7132572 | 0.80 | CYP3A4 (0.63) | CYP3A4ABCB1CYP3A5ABCC1CYP2C19 |
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-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | claimed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | claimed |
| US-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | disclosed |