Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL4088660 | 0.80 | KMT2A (0.44) | HTTKMT2ACYP11B2KDM4EHSD17B10 | |
| SCHEMBL15616704 | 0.80 | PTGS2 (0.35) | PTGS2KMT2ACYP11B2LRRK2 | |
| SCHEMBL16914120 | 0.78 | HSD17B10 (0.49) | HTTKMT2ACYP11B2KDM4EHSD17B10 | |
| SCHEMBL30366380 | 0.77 | GAA (0.46) | HTTKMT2APIK3CDPIK3CAPIK3CB | |
| SCHEMBL15616587 | 0.77 | GAA (0.46) | HTTKMT2APIK3CDPIK3CAPIK3CB | |
| SCHEMBL25931339 | 0.76 | MAP4K1 (0.38) | PTGS2PIK3CDCYP11B2F10MAP4K1 | |
| SCHEMBL22574416 | 0.74 | CYP11B2 (0.47) | PTGS2CYP11B2F10KDM4EHSD17B10 | |
| SCHEMBL15856221 | 0.74 | AKR1C3 (0.50) | PTGS2F10MAP4K1 | |
| SCHEMBL16094570 | 0.70 | PTGS2 (0.42) | PTGS2PIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3298817 | 0.69 | PTGS2 (0.38) | PTGS2CYP11B2F10MAP4K1 |
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-2014008214-A1 | BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS | BIOGEN IDEC MA INC. (US) | 2014-01-09 | — | — | WO | disclosed |