Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 13/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 10/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | CTSV | O60911 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13275160 | 0.92 | FYN (0.34) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2264266 | 0.91 | HSD17B13 (0.37) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2268897 | 0.88 | HSD17B13 (0.39) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2220857 | 0.88 | FYN (0.33) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2261414 | 0.87 | HSD17B13 (0.42) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2222715 | 0.87 | FYN (0.36) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2269058 | 0.87 | ENPP2 (0.41) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2276244 | 0.86 | MET (0.40) | IRAK1IRAK4FYNMET | |
| SCHEMBL12516405 | 0.86 | MET (0.40) | IRAK1IRAK4FYNHSD17B13ENPP2 | |
| SCHEMBL2222601 | 0.86 | HSD17B13 (0.36) | IRAK1IRAK4FYNHSD17B13ENPP2 |
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-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |