Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | EBP | Q15125 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5751980 | 0.84 | EBP (0.51) | CYP3A4NPSR1KIF11MAPTALDH1A1 | |
| SCHEMBL7123137 | 0.83 | EBP (0.40) | CYP3A4ALDH1A1FFAR1ABCB1EBP | |
| SCHEMBL7131765 | 0.83 | MMP2 (0.41) | CYP3A4HTTKIF11GAAMAPT | |
| SCHEMBL7120088 | 0.83 | EBP (0.40) | CYP3A4ALDH1A1HSD17B10ABCB1CYP3A5 | |
| SCHEMBL7128373 | 0.83 | MIF (0.41) | NPC1RAB9ACYP3A4ALDH1A1L3MBTL1 | |
| SCHEMBL7126244 | 0.83 | EBP (0.40) | CYP3A4HTTALDH1A1FFAR1ABCB1 | |
| SCHEMBL7751300 | 0.83 | CYP3A4 (0.63) | CYP3A4HTTNPSR1GAAMAPT | |
| SCHEMBL7132572 | 0.83 | CYP3A4 (0.63) | CYP3A4HTTNPSR1GAAMAPT | |
| SCHEMBL11091478 | 0.80 | NPC1 (0.46) | NPC1RAB9ACYP3A4PDE4BHTT | |
| SCHEMBL5753427 | 0.80 | CYP3A4 (0.43) | NPC1RAB9ACYP3A4HTTNPSR1 |
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 |