Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 5/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25545776 | 0.90 | ITK (0.47) | HSD17B1ITKAURKALCKRIPK1 | |
| SCHEMBL23567665 | 0.90 | ITK (0.47) | HSD17B1ITKAURKALCKRIPK1 | |
| SCHEMBL23565145 | 0.90 | ITK (0.47) | HSD17B1ITKAURKALCKRIPK1 | |
| SCHEMBL24550654 | 0.82 | HSD17B1 (0.39) | HSD17B1ITKAURKALCKRIPK1 | |
| SCHEMBL24551159 | 0.80 | HSD17B1 (0.38) | HSD17B1ITKAURKALCKRIPK1 | |
| SCHEMBL23564867 | 0.78 | HSD17B1 (0.43) | HSD17B1ITKAURKALCKKDM4E | |
| SCHEMBL23565456 | 0.77 | HSD17B1 (0.39) | HSD17B1ITKAURKALCKKDM4E | |
| SCHEMBL23567510 | 0.77 | HSD17B1 (0.39) | HSD17B1ITKAURKALCKKDM4E | |
| SCHEMBL23564861 | 0.77 | HSD17B1 (0.39) | HSD17B1ITKAURKALCKKDM4E | |
| SCHEMBL23567657 | 0.77 | HSD17B1 (0.39) | HSD17B1ITKAURKALCKKDM4E |
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-2022130171-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE | PFIZER INC. (US) | 2022-06-23 | — | — | WO | disclosed |