Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL563902 | 0.89 | CYP3A4 (0.62) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL564726 | 0.87 | CYP3A4 (0.60) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL17508260 | 0.84 | RAPGEF4 (0.57) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL1920769 | 0.83 | CYP3A4 (0.86) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL30026816 | 0.83 | CYP3A4 (0.86) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL1389429 | 0.83 | CYP3A4 (0.86) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL11475061 | 0.82 | CYP3A4 (0.70) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL13302358 | 0.81 | CYP3A4 (0.82) | CYP3A4TSHRHDAC6KMT2AALDH1A1 | |
| SCHEMBL17414842 | 0.80 | MAPT (0.67) | CYP3A4KMT2AALDH1A1MEN1TDP1 | |
| SCHEMBL17508206 | 0.80 | KMT2A (0.67) | CYP3A4TSHRHDAC6KMT2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | claimed |
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |