Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 9/20 | 0.37 |
| ▸ | CNR1 | P21554 | 4/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL18641974 | 1.00 | CNR2 (0.37) | CNR2CNR1HRH3KCNH2HRH1 | |
| SCHEMBL18631256 | 0.93 | CNR2 (0.35) | CNR2CNR1HRH3KCNH2HRH1 | |
| SCHEMBL18631259 | 0.93 | CNR2 (0.35) | CNR2CNR1HRH3KCNH2HRH1 | |
| SCHEMBL18631258 | 0.93 | CNR2 (0.35) | CNR2CNR1HRH3KCNH2HRH1 | |
| SCHEMBL18630790 | 0.88 | CNR2 (0.37) | CNR2CNR1MAPTGAACYP1A2 | |
| SCHEMBL18630792 | 0.88 | CNR2 (0.37) | CNR2CNR1MAPTGAACYP1A2 | |
| SCHEMBL18631271 | 0.88 | CNR2 (0.38) | CNR2CNR1MAPTGAACYP1A2 | |
| SCHEMBL18631272 | 0.88 | CNR2 (0.38) | CNR2CNR1MAPTGAACYP1A2 | |
| SCHEMBL18631252 | 0.86 | CNR2 (0.38) | CNR2CNR1GAACYP1A2CYP3A4 | |
| SCHEMBL18631255 | 0.86 | CNR2 (0.38) | CNR2CNR1GAACYP1A2CYP3A4 |
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-3350177-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2018-07-25 | — | — | EP | disclosed |
| WO-2017049068-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |