Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | MGAM | O43451 | 2/20 | 0.31 |
| ▸ | SI | P14410 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL17778125 | 1.00 | FUCA1 (0.44) | FUCA1CA1CA2CA4MGAM | |
| SCHEMBL17778143 | 1.00 | FUCA1 (0.44) | FUCA1CA1CA2CA4MGAM | |
| SCHEMBL17778088 | 0.96 | FUCA1 (0.44) | FUCA1CA1CA2CA4MGAM | |
| SCHEMBL24946106 | 0.86 | FUCA1 (0.47) | FUCA1 | |
| SCHEMBL8441951 | 0.86 | — | — | |
| SCHEMBL19903778 | 0.86 | — | — | |
| SCHEMBL16748087 | 0.86 | — | — | |
| SCHEMBL20351139 | 0.86 | — | — | |
| SCHEMBL15317987 | 0.86 | — | — | |
| SCHEMBL8365576 | 0.82 | FUCA1 (0.42) | FUCA1CA1CA2CA4MGAM |
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-2016081679-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | WO | disclosed |