Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.33 |
| ▸ | S100A10 | P60903 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17527028 | 0.85 | CASP1 (0.42) | PDE7ACASP1CYP3A4TSHRMAPK1 | |
| SCHEMBL17527048 | 0.85 | PDE7A (0.39) | PDE7ACASP1CYP3A4TSHRMAPK1 | |
| SCHEMBL17506791 | 0.83 | SMN1; SMN2 (0.39) | CYP3A4TSHRMAPK1RECQLALDH1A1 | |
| SCHEMBL7195456 | 0.79 | CYP3A4 (0.42) | PDE7ACASP1CYP3A4TSHRMAPK1 | |
| SCHEMBL7194725 | 0.79 | PDE7A (0.47) | PDE7ACASP1CYP3A4TSHRRECQL | |
| SCHEMBL17527013 | 0.78 | PDE7A (0.49) | PDE7ACASP1CYP3A4TSHRMAPK1 | |
| SCHEMBL17498332 | 0.77 | CYP3A4 (0.57) | CASP1CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL17498285 | 0.77 | CASP1 (0.48) | CASP1CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL20854812 | 0.76 | PDE7A (0.44) | PDE7ACASP1CYP3A4RECQLALDH1A1 | |
| SCHEMBL125522 | 0.74 | CYP3A4 (0.58) | PDE7ACASP1CYP3A4TSHRMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016020110-A1 | OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |