Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310579 | 0.92 | RORC (0.35) | RORCKDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24309309 | 0.88 | KDM4E (0.34) | RORCKDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24309263 | 0.87 | POLB (0.34) | KDM4ELMNAPOLBUSP2 | |
| SCHEMBL24310294 | 0.87 | GPR39 (0.38) | KDM4ELMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL24309707 | 0.84 | PIK3CD (0.31) | RORCKDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24310302 | 0.80 | BRD4 (0.37) | RORCKDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24309770 | 0.78 | LMNA (0.34) | LMNACYP1A2CYP2C19POLB | |
| SCHEMBL24309252 | 0.77 | RXRA (0.39) | LMNANPSR1POLBMAPT | |
| SCHEMBL24309777 | 0.74 | LMNA (0.38) | LMNACYP1A2CYP2C19NPSR1POLB | |
| SCHEMBL24309507 | 0.72 | CYP1A2 (0.35) | LMNACYP1A2CYP2C19NPSR1SCN9A |
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 |