Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GRM8 | O00222 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL22983268 | 0.89 | ARG1 (0.37) | ALDH1A1ARG1 | |
| SCHEMBL22983088 | 0.89 | ARG1 (0.37) | ALDH1A1ARG1 | |
| SCHEMBL23006522 | 0.84 | KDM4D (0.35) | CYP19A1 | |
| SCHEMBL23006525 | 0.84 | KDM4D (0.35) | CYP19A1 | |
| SCHEMBL29205511 | 0.81 | ARG1 (0.31) | CYP17A1CYP19A1DPP4KDM4EGAA | |
| SCHEMBL22982568 | 0.80 | ALDH1A1 (0.34) | CYP17A1DPP4KDM4EGAAALDH1A1 | |
| SCHEMBL22982291 | 0.80 | ALDH1A1 (0.37) | KDM4EGAAALDH1A1TP53MDM2 | |
| SCHEMBL22982690 | 0.79 | HTT (0.37) | ALDH1A1ARG1 | |
| SCHEMBL22982914 | 0.78 | MDM2 (0.35) | TP53MDM2 | |
| SCHEMBL22983211 | 0.78 | LMNA (0.33) | KDM4EALDH1A1 |
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 |