Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 7/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.38 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.38 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | USP8 | P40818 | 1/20 | 0.37 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15942805 | 1.00 | ITK (0.51) | ITKERBB2TTKMAPK1MAP2K4 | |
| SCHEMBL14818880 | 0.86 | MAP2K4 (0.49) | ITKERBB2MAPK1MAP2K4MAPKAPK2 | |
| SCHEMBL15312579 | 0.82 | ITK (0.46) | ITKMAPK1MAP2K4MAPKAPK2MAPKAPK3 | |
| SCHEMBL16252839 | 0.79 | MAP2K4 (0.51) | ITKERBB2MAPK1MAP2K4MAPKAPK2 | |
| SCHEMBL11977413 | 0.79 | PDPK1 (0.58) | ERBB2TTKMAPK1 | |
| SCHEMBL30224844 | 0.79 | PDPK1 (0.58) | ERBB2TTKMAPK1 | |
| SCHEMBL31621168 | 0.79 | MAP2K4 (0.44) | ERBB2MAP2K4USP8USP7 | |
| SCHEMBL9980415 | 0.79 | MAP2K4 (0.44) | ERBB2MAP2K4USP8USP7 | |
| SCHEMBL13554365 | 0.78 | KIF11 (0.42) | ITKTTKMAPK1MAP2K4KIF11 | |
| SCHEMBL4013912 | 0.78 | NTRK1 (0.44) | ITKMAP2K4LRRK2USP8NTRK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4387609-A2 | ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS | ChemoCentryx, Inc. (US) | 2024-06-26 | — | — | EP | disclosed |
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2023023532-A2 | ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS | CHEMOCENTRYX, INC. (US) | 2023-02-23 | — | — | WO | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |