Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 8/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.32 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 3/20 | 0.30 |
| ▸ | CTSK | P43235 | 3/20 | 0.30 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.30 |
| ▸ | CTSS | P25774 | 2/20 | 0.30 |
| ▸ | CTSC | P53634 | 2/20 | 0.30 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18123328 | 1.00 | AKT1 (0.38) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL18925005 | 1.00 | AKT1 (0.38) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL21422792 | 0.89 | EPHX2 (0.42) | AKT1EPHX2OPRM1OPRD1OPRK1 | |
| SCHEMBL18123295 | 0.88 | CA12 (0.37) | AKT1SMOLTA4H | |
| SCHEMBL799022 | 0.78 | AKT1 (0.39) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL799561 | 0.78 | AKT1 (0.39) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL799377 | 0.78 | AKT1 (0.39) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL16368600 | 0.77 | AKT1 (0.39) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL16072923 | 0.77 | AKT1 (0.39) | AKT1EPHX2PDE10ASMOOPRM1 | |
| SCHEMBL13382854 | 0.76 | AKT1 (0.41) | AKT1EPHX2PDE10ASMOOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |