Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17538434 | 0.94 | CYP3A4 (0.40) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17538443 | 0.94 | TSHR (0.41) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17538439 | 0.88 | CYP3A4 (0.44) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17498288 | 0.87 | CYP3A4 (0.57) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL11649856 | 0.85 | ALDH1A1 (0.39) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17538442 | 0.82 | ALOX15 (0.45) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17538435 | 0.81 | CYP3A4 (0.44) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17498289 | 0.80 | PDE10A (0.53) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL17498272 | 0.80 | PDE10A (0.48) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL29752049 | 0.80 | CYP3A4 (0.60) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 |
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-2016020111-A1 | NOVEL OXIDATION DYE INTERMEDIATES OF THE TYPE OF OXY-, THIO-, AND AZA-BIS-BENZENES | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |