Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | DNM2 | P50570 | 4/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 2/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11456527 | 0.78 | CYP2C19 (0.56) | CYP2C19HRH3DNM2IRAK4NCF1 | |
| SCHEMBL6027125 | 0.76 | CYP2C19 (0.57) | CYP2C19HRH3DNM2NCF1 | |
| SCHEMBL3222006 | 0.74 | HRH3 (0.59) | CYP2C19HRH3DNM2IRAK4NCF1 | |
| SCHEMBL11446725 | 0.74 | CYP2C19 (0.56) | CYP2C19HRH3DNM2IRAK4NCF1 | |
| SCHEMBL11447765 | 0.74 | CYP2C19 (0.56) | CYP2C19HRH3DNM2IRAK4NCF1 | |
| SCHEMBL11185939 | 0.72 | CYP2C19 (0.53) | CYP2C19HRH3DNM2IRAK4PIM1 | |
| SCHEMBL11456718 | 0.72 | CYP2C19 (0.53) | CYP2C19HRH3DNM2IRAK4NCF1 | |
| SCHEMBL11454532 | 0.71 | CYP2C19 (0.51) | CYP2C19HRH3DNM2IRAK4PIM1 | |
| SCHEMBL11446044 | 0.71 | IDH2 (0.59) | CYP2C19HRH3DNM2PIM1 | |
| SCHEMBL2638289 | 0.70 | KDM4E (0.54) | CYP2C19HRH3DNM2NCF1TOP2A |
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-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |