Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL32674103 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP17A1CYP19A1HTR2CDDB1 | |
| SCHEMBL32674206 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP17A1CYP19A1HTR2CDDB1 | |
| SCHEMBL25317306 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP17A1CYP19A1HTR2CDDB1 | |
| SCHEMBL16865202 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP17A1CYP19A1HTR2CDDB1 | |
| SCHEMBL31268160 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HTR2CDDB1CRBNMAPK1 | |
| SCHEMBL25707989 | 0.75 | ALDH1A1 (0.49) | ALDH1A1HTR2CDDB1CRBNMAPK1 | |
| SCHEMBL4862689 | 0.75 | SMN1; SMN2 (0.48) | ALDH1A1HTR2CL3MBTL1KMT2ATSHR | |
| SCHEMBL20461082 | 0.74 | SMN1; SMN2 (0.52) | HTR2CL3MBTL1KMT2A | |
| SCHEMBL32674110 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HTR2CDDB1CRBNMAPK1 | |
| SCHEMBL25213325 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP17A1CYP19A1DDB1CRBN |
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 |
|---|---|---|---|---|---|---|---|
| EP-3227279-B1 | 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS | LILLY CO ELI (US) | 2019-02-13 | — | — | EP | disclosed |