Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17538440 | 0.94 | CYP3A4 (0.44) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17538434 | 0.89 | CYP3A4 (0.40) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17538442 | 0.87 | ALOX15 (0.45) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17498289 | 0.86 | PDE10A (0.53) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL11649856 | 0.82 | ALDH1A1 (0.39) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17506818 | 0.82 | ALDH1A1 (0.47) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17506797 | 0.82 | TDP1 (0.47) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17538439 | 0.81 | CYP3A4 (0.44) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL15018391 | 0.79 | TSHR (0.47) | TSHRCASP1PDE10AALDH1A1MAPT | |
| SCHEMBL17527049 | 0.79 | RAPGEF4 (0.53) | TSHRALDH1A1MAPTALOX15CYP3A4 |
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 |