Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 2/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.43 |
| ▸ | ITGAL | P20701 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | RECQL | P46063 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17498277 | 0.97 | ITGB2 (0.47) | ITGB2ICAM1ITGALCASP1PDE7A | |
| SCHEMBL17498298 | 0.87 | CASP1 (0.42) | ITGB2ICAM1ITGALCASP1PDE7A | |
| SCHEMBL17498283 | 0.87 | ALOX15 (0.47) | ITGB2ICAM1ITGALCASP1CYP3A4 | |
| SCHEMBL17498330 | 0.87 | ITGB2 (0.48) | ITGB2ICAM1ITGALCASP1PDE7A | |
| Hydrochloric Acid SCHEMBL17498331 | 0.85 | CASP1 (0.41) | ITGB2ICAM1ITGALCASP1PDE7A | |
| SCHEMBL17498285 | 0.83 | CASP1 (0.48) | ITGB2ICAM1ITGALCASP1CYP3A4 | |
| SCHEMBL17498316 | 0.82 | CYP1A2 (0.53) | ITGB2ICAM1ITGALCYP3A4ALDH1A1 | |
| SCHEMBL5165904 | 0.81 | CASP1 (0.44) | CASP1CYP3A4TSHRALDH1A1RECQL | |
| SCHEMBL18598786 | 0.81 | CASP1 (0.39) | ITGB2ICAM1ITGALCASP1PDE7A | |
| SCHEMBL17498348 | 0.80 | ALOX15 (0.41) | ITGB2ICAM1ITGALCASP1CYP3A4 |
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 |