Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23106870 | 0.87 | CHRNA7 (0.42) | HTR1ADRD2DRD4KCNH2CHRNA7 | |
| SCHEMBL23006101 | 0.76 | TLR9 (0.38) | — | |
| SCHEMBL23114604 | 0.73 | TGFBR1 (0.33) | KCNH2 | |
| SCHEMBL23103376 | 0.73 | DRD2 (0.43) | DRD2KCNH2 | |
| SCHEMBL23103374 | 0.73 | DRD2 (0.43) | DRD2KCNH2 | |
| SCHEMBL23103365 | 0.73 | DRD2 (0.43) | DRD2KCNH2 | |
| SCHEMBL29814766 | 0.73 | HTR3E (0.46) | KCNH2OPRM1OPRL1 | |
| SCHEMBL23089139 | 0.73 | HTR3E (0.46) | KCNH2OPRM1OPRL1 | |
| SCHEMBL17896353 | 0.71 | HTR1A (0.40) | HTR1ADRD2DRD4KCNH2CHRNA7 | |
| SCHEMBL2609309 | 0.68 | CHRNA7 (0.46) | HTR1ADRD2DRD4KCNH2CHRNA7 |
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-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |