Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | BCDIN3D | Q7Z5W3 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22982291 | 0.82 | ALDH1A1 (0.37) | ALDH1A1LMNAKMT2ANPSR1TSHR | |
| SCHEMBL23006354 | 0.78 | TP53 (0.32) | BCDIN3DTP53CYP2C19 | |
| SCHEMBL23005931 | 0.77 | GPR119 (0.40) | KDM4ECYP2C19 | |
| SCHEMBL29862313 | 0.77 | GPR119 (0.40) | KDM4ECYP2C19 | |
| SCHEMBL23006911 | 0.77 | GPR119 (0.40) | KDM4ECYP2C19 | |
| SCHEMBL23006104 | 0.76 | — | — | |
| SCHEMBL22982513 | 0.70 | ALDH1A1 (0.36) | ALDH1A1MAPTLMNAKMT2AMEN1 | |
| SCHEMBL23832945 | 0.69 | KCNA5 (0.53) | ALDH1A1LMNAKMT2AMEN1KCNA5 | |
| SCHEMBL704576 | 0.69 | KCNA5 (0.53) | ALDH1A1LMNAKMT2AMEN1KCNA5 | |
| SCHEMBL31482137 | 0.69 | KCNA5 (0.53) | ALDH1A1LMNAKMT2AMEN1KCNA5 |
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 |