Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309792 | 0.83 | BRD4 (0.37) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL29566540 | 0.83 | BRD4 (0.37) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24309703 | 0.77 | — | — | |
| SCHEMBL24309778 | 0.76 | HTR1A (0.39) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL29566765 | 0.76 | HTR1A (0.39) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24310302 | 0.72 | BRD4 (0.37) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL29567003 | 0.72 | SMN1; SMN2 (0.36) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24309272 | 0.72 | SMN1; SMN2 (0.36) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL26808358 | 0.70 | CRHR1 (0.35) | — | |
| SCHEMBL24310579 | 0.70 | RORC (0.35) | BRD4KDM4ELMNACYP1A2CYP2C19 |
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 |