Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL13845988 | 0.95 | APP (0.49) | APPBACE1MEN1KMT2ACYP1A2 | |
| SCHEMBL13846023 | 0.94 | APP (0.48) | APPBACE1MEN1KMT2ACYP1A2 | |
| SCHEMBL7998452 | 0.83 | RELA (0.49) | BACE1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL15051289 | 0.82 | APP (0.46) | APPIDO1 | |
| SCHEMBL15051287 | 0.82 | APP (0.46) | APPIDO1 | |
| SCHEMBL13846004 | 0.80 | APP (0.46) | APPCYP1A2CYP2C19HPGDCACNA1B | |
| SCHEMBL7990042 | 0.78 | RELA (0.47) | BACE1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL8000066 | 0.77 | RELA (0.46) | BACE1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL13845999 | 0.77 | APP (0.46) | APPMEN1KMT2ACACNA1BCHRM2 | |
| SCHEMBL15050808 | 0.74 | APP (0.52) | APPCACNA1BCHRM2CHRM1CHRM3 |
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 |