Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310548 | 0.97 | PLK4 (0.36) | PLK4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL24310587 | 0.91 | FLT3 (0.37) | MAP4K1 | |
| SCHEMBL24310785 | 0.89 | MAP4K1 (0.34) | ALDH1A1MAP4K1METSMN1; SMN2PIK3CA | |
| SCHEMBL24310347 | 0.86 | GPR39 (0.39) | CYP1A2CYP2C9CYP2C19HTTHSD17B10 | |
| SCHEMBL24310563 | 0.86 | HPGD (0.31) | MAPT | |
| SCHEMBL24310149 | 0.86 | — | — | |
| SCHEMBL24310142 | 0.84 | GPR39 (0.30) | — | |
| SCHEMBL24309516 | 0.84 | FLT3 (0.35) | MET | |
| SCHEMBL24310557 | 0.84 | DGAT2 (0.32) | — | |
| SCHEMBL24309553 | 0.83 | MAP4K1 (0.31) | MAP4K1 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |