Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15255711 | 1.00 | CHRM2 (0.41) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL15451675 | 0.87 | CHRM2 (0.33) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL22926910 | 0.86 | LMNA (0.43) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL8277176 | 0.86 | LMNA (0.43) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL13528915 | 0.86 | LMNA (0.43) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL13245325 | 0.85 | CHRM2 (0.34) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL8278611 | 0.81 | CHRM2 (0.38) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL21012346 | 0.77 | LMNA (0.44) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL8278523 | 0.75 | LMNA (0.34) | CHRM2CHRM4CHRM1CHRM3CYP2C9 | |
| SCHEMBL13245324 | 0.73 | L3MBTL1 (0.36) | — |
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-2005077969-A2 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-08-25 | — | — | WO | disclosed |