Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL13845999 | 0.86 | APP (0.46) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL8000869 | 0.84 | RELA (0.46) | CACNA1BCHRM2CHRM1CHRM3IDO1 | |
| SCHEMBL13845927 | 0.74 | CYP1A1 (0.35) | — | |
| SCHEMBL13845994 | 0.73 | APP (0.50) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL15050807 | 0.72 | APP (0.52) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL15050808 | 0.72 | APP (0.52) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL13845988 | 0.72 | APP (0.49) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL13846004 | 0.71 | APP (0.46) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL13846023 | 0.71 | APP (0.48) | APPCACNA1BCHRM2CHRM1CHRM3 | |
| SCHEMBL7999307 | 0.70 | RELA (0.44) | CHRM2CHRM1CHRM3IDO1MEN1 |
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-2009064955-A1 | MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | disclosed |