Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 4/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9500794 | 0.70 | CYP2D6 (0.53) | CYP1A2CYP2C19ATM | |
| SCHEMBL3202387 | 0.69 | KIF11 (0.36) | KIF11 | |
| SCHEMBL3215679 | 0.69 | KIF11 (0.36) | KIF11 | |
| SCHEMBL29570815 | 0.69 | KIF11 (0.36) | KIF11 | |
| SCHEMBL3202257 | 0.69 | KIF11 (0.38) | KIF11 | |
| SCHEMBL8465163 | 0.65 | CYP2D6 (0.50) | CYP1A2CYP2C19ATM | |
| SCHEMBL8463739 | 0.65 | CYP2D6 (0.50) | CYP1A2CYP2C19ATM | |
| SCHEMBL6948447 | 0.65 | KCNH2 (0.55) | SIGMAR1 | |
| SCHEMBL8849484 | 0.63 | HTR1D (0.40) | CYP1A2CYP2C19ADRA2AADRA2BADRA2C | |
| SCHEMBL29088975 | 0.61 | MAPK14 (0.33) | — |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |