Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17538442 | 0.88 | ALOX15 (0.45) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17498278 | 0.84 | CA14 (0.44) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17498288 | 0.82 | CYP3A4 (0.57) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17498293 | 0.81 | CASP1 (0.48) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL11646465 | 0.81 | GAA (0.47) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17538439 | 0.79 | CYP3A4 (0.44) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17538440 | 0.79 | CYP3A4 (0.44) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17527084 | 0.79 | TDP1 (0.56) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17527023 | 0.78 | RAPGEF4 (0.54) | ALDH1A1CYP3A4TDP1ALOX15RECQL | |
| SCHEMBL17498309 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TDP1ALOX15RECQL |
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 2 patents. 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 |
| 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 |