Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18644562 | 0.96 | PARP1 (0.38) | PARP1CHEK1ALDH1A1MAPTTHRB | |
| SCHEMBL18645735 | 0.89 | THRB (0.34) | PARP1ALDH1A1MAPTTHRBMEN1 | |
| SCHEMBL18644574 | 0.84 | BRD4 (0.35) | — | |
| SCHEMBL18644592 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL18645482 | 0.75 | KDM4E (0.39) | ALDH1A1NPC1RAB9A | |
| SCHEMBL18644585 | 0.74 | BRD4 (0.37) | ALDH1A1MAPT | |
| SCHEMBL18645512 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL18644579 | 0.71 | PIK3CA (0.35) | — | |
| SCHEMBL18645499 | 0.71 | PARP1 (0.38) | PARP1CHEK1 | |
| SCHEMBL19751510 | 0.65 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2A |
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-2017042182-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-16 | — | — | WO | disclosed |