Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 5/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 4/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | TYK2 | P29597 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL22982842 | 1.00 | TP53 (0.32) | TP53MDM2CYP2C19CNR2CNR1 | |
| SCHEMBL22982839 | 1.00 | TP53 (0.32) | TP53MDM2CYP2C19CNR2CNR1 | |
| SCHEMBL28771555 | 0.90 | ADORA2B (0.36) | CNR2CNR1KDM4EADORA2B | |
| SCHEMBL28771552 | 0.90 | ADORA2B (0.36) | CNR2CNR1KDM4EADORA2B | |
| SCHEMBL29862207 | 0.90 | ADORA2B (0.36) | CNR2CNR1KDM4EADORA2B | |
| SCHEMBL22982905 | 0.88 | CXCR2 (0.34) | ALDH1A1 | |
| SCHEMBL22983887 | 0.87 | — | — | |
| SCHEMBL22982685 | 0.87 | TP53 (0.31) | TP53MDM2 | |
| SCHEMBL22982450 | 0.87 | SYK (0.31) | — | |
| SCHEMBL22982294 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4013759-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2022-06-22 | — | — | EP | disclosed |
| WO-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |