Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL2035482 | 0.96 | MEN1 (0.41) | CYP3A4ALDH1A1MEN1KMT2ASLC6A3 | |
| SCHEMBL304811 | 0.81 | CYP3A4 (0.39) | CYP3A4ALDH1A1TP53THRBALOX15 | |
| SCHEMBL2037519 | 0.79 | ALDH1A1 (0.40) | CYP3A4ALDH1A1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2031773 | 0.79 | ALDH1A1 (0.45) | CYP3A4ALDH1A1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8587502 | 0.77 | MEN1 (0.43) | MEN1KMT2ASLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8587501 | 0.77 | MEN1 (0.43) | MEN1KMT2ASLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8792804 | 0.77 | MEN1 (0.43) | MEN1KMT2ASLC6A3SLC6A2SLC6A4 | |
| SCHEMBL5164337 | 0.75 | SLC6A3 (0.37) | MEN1KMT2ASLC6A3SLC6A2SLC6A4 | |
| SCHEMBL521429 | 0.75 | SLC6A3 (0.41) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8792376 | 0.74 | MEN1 (0.48) | MEN1KMT2ASLC6A3SLC6A2SLC6A4 |
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-1379510-A1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS | ICOS CORPORATION (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002070494-A1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS | ICOS CORPORATION (US) | 2002-09-12 | — | — | WO | disclosed |