Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 7/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 6/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22982513 | 0.89 | ALDH1A1 (0.36) | ALDH1A1KDM4ELMNACYP3A4TSHR | |
| SCHEMBL29862313 | 0.85 | GPR119 (0.40) | KDM4ECYP2C19 | |
| SCHEMBL23005931 | 0.85 | GPR119 (0.40) | KDM4ECYP2C19 | |
| SCHEMBL23006911 | 0.85 | GPR119 (0.40) | KDM4ECYP2C19 | |
| SCHEMBL22983211 | 0.84 | LMNA (0.33) | ALDH1A1KDM4ELMNACPB2PMP22 | |
| SCHEMBL22982914 | 0.84 | MDM2 (0.35) | TP53MDM2 | |
| SCHEMBL22982830 | 0.84 | DPP4 (0.41) | ALDH1A1KDM4ECPB2KMT2A | |
| SCHEMBL22983268 | 0.83 | ARG1 (0.37) | ALDH1A1CYP3A4CYP1A2KMT2A | |
| SCHEMBL22983088 | 0.83 | ARG1 (0.37) | ALDH1A1CYP3A4CYP1A2KMT2A | |
| SCHEMBL22983105 | 0.82 | MAOA (0.33) | TSHRTP53MDM2GAA |
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 |