Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | MERTK | Q12866 | 10/20 | 0.41 |
| ▸ | AXL | P30530 | 9/20 | 0.39 |
| ▸ | FLT3 | P36888 | 9/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2496947 | 0.79 | KEAP1 (0.53) | KEAP1CPB2MERTKAXLFLT3 | |
| SCHEMBL19950885 | 0.77 | DYRK1A (0.38) | KEAP1MERTKRETDYRK1AMET | |
| SCHEMBL19368821 | 0.77 | KEAP1 (0.67) | KEAP1CPB2MERTKAXLFLT3 | |
| SCHEMBL19973167 | 0.76 | KEAP1 (0.50) | KEAP1CPB2MERTKAXLFLT3 | |
| SCHEMBL29372807 | 0.75 | KEAP1 (0.58) | KEAP1CPB2MERTKAXLFLT3 | |
| SCHEMBL17788633 | 0.72 | KEAP1 (0.58) | KEAP1MERTKRETDYRK1ANAMPT | |
| SCHEMBL1500299 | 0.71 | KEAP1 (0.54) | KEAP1CPB2MERTKAXLFLT3 | |
| SCHEMBL18576831 | 0.71 | KEAP1 (0.62) | KEAP1CPB2MERTKAXLFLT3 | |
| SCHEMBL30825715 | 0.71 | CYP3A4 (0.40) | CYP1A2 | |
| SCHEMBL13594158 | 0.71 | SIGMAR1 (0.44) | MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3512833-A1 | HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 | Boehringer Ingelheim International GmbH (DE) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018052772-A1 | HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |