Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 8/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.41 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.41 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL5510222 | 1.00 | IRAK4 (0.51) | IRAK4GAKRIPK2COQ8ANLK | |
| Hydrochloric Acid SCHEMBL23699139 | 0.81 | IRAK4 (0.52) | IRAK4SSTR4IDO1 | |
| Hydrochloric Acid SCHEMBL30444717 | 0.81 | IRAK4 (0.52) | IRAK4SSTR4IDO1 | |
| SCHEMBL24010750 | 0.74 | GAK (0.64) | GAKRIPK2COQ8ANLKCCNC | |
| SCHEMBL3254205 | 0.73 | SLC22A12 (0.45) | IRAK4CCNCCDK8SLC22A12AR | |
| SCHEMBL3254209 | 0.73 | SLC22A12 (0.45) | IRAK4CCNCCDK8SLC22A12AR | |
| SCHEMBL23999791 | 0.73 | GAK (0.49) | IRAK4GAKRIPK2COQ8ANLK | |
| SCHEMBL4659915 | 0.71 | SLC22A12 (0.45) | IRAK4GAKRIPK2COQ8ANLK | |
| SCHEMBL14782742 | 0.70 | HSD11B1 (0.44) | — | |
| SCHEMBL25830886 | 0.68 | GAK (0.46) | GAKRIPK2COQ8ANLKCCNC |
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-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |