Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.39 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18650911 | 1.00 | PIK3CA (0.39) | PIK3CAPTGS2LRRK2F10KLKB1 | |
| SCHEMBL23618026 | 0.87 | PTGS2 (0.41) | PTGS2LRRK2F10KLKB1 | |
| SCHEMBL18650901 | 0.86 | PTGS2 (0.46) | PTGS2F10OPRM1OPRK1OGFRL1 | |
| SCHEMBL23617944 | 0.85 | PTGS2 (0.41) | PTGS2LRRK2F10 | |
| SCHEMBL18650909 | 0.84 | PTGS2 (0.40) | PTGS2F10 | |
| SCHEMBL23617960 | 0.83 | PKM (0.40) | PTGS2LRRK2F10KLKB1USP2 | |
| SCHEMBL18668092 | 0.83 | PTGS2 (0.40) | PTGS2LRRK2F10 | |
| SCHEMBL18668039 | 0.83 | PTGS2 (0.40) | PTGS2LRRK2F10 | |
| SCHEMBL18650898 | 0.81 | USP30 (0.45) | PIK3CAUSP2PKMOPRM1OPRK1 | |
| SCHEMBL18650891 | 0.80 | GPR119 (0.37) | PTGS2LRRK2F10 |
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-2017049068-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |