Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18644586 | 0.96 | PARP1 (0.38) | PARP1ALDH1A1MAPTTHRBMEN1 | |
| SCHEMBL18645735 | 0.85 | THRB (0.34) | PARP1ALDH1A1MAPTTHRBMEN1 | |
| SCHEMBL18644574 | 0.80 | BRD4 (0.35) | LMNA | |
| SCHEMBL18645512 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL18644585 | 0.75 | BRD4 (0.37) | ALDH1A1MAPTLMNAGAAHSD17B10 | |
| SCHEMBL18644592 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL18645482 | 0.70 | KDM4E (0.39) | ALDH1A1NPC1RAB9AKDM4EHPGD | |
| SCHEMBL18644579 | 0.67 | PIK3CA (0.35) | — | |
| SCHEMBL3001705 | 0.67 | MAP3K14 (0.41) | PARP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL18645499 | 0.67 | PARP1 (0.38) | PARP1CHEK1 |
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 |