Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12880728 | 0.88 | FUCA1 (0.42) | FUCA1CA2 | |
| SCHEMBL20746546 | 0.79 | CYP2D6 (0.41) | CA2CYP2D6 | |
| SCHEMBL4329641 | 0.76 | CA2 (0.35) | CA2 | |
| SCHEMBL4337430 | 0.73 | CA2 (0.33) | CA2 | |
| SCHEMBL15226041 | 0.72 | CA2 (0.54) | CA2CYP2D6 | |
| Acetic Acid SCHEMBL7676712 | 0.66 | APLNR (0.31) | — | |
| Acetic Acid SCHEMBL4126300 | 0.66 | APLNR (0.31) | — | |
| SCHEMBL22631527 | 0.66 | PPARA (0.37) | — | |
| SCHEMBL15661304 | 0.65 | MAPK1 (0.35) | — | |
| SCHEMBL20876319 | 0.65 | CYP2D6 (0.42) | CYP2D6 |
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-2049543-B1 | ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | CALLAGHAN INNOVATION RES LTD (NZ) | 2014-11-05 | — | — | EP | disclosed |
| US-8383636-B2 | Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase | INDUSTRIAL RESEARCH LIMITED (NZ) | 2013-02-26 | — | — | US | disclosed |