Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 15/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18644579 | 0.84 | PIK3CA (0.35) | PIK3CA | |
| SCHEMBL18644581 | 0.75 | PIK3CA (0.35) | KDM4EALDH1A1HPGDHSD17B10PIK3CA | |
| SCHEMBL18644586 | 0.75 | PARP1 (0.38) | ALDH1A1NPC1RAB9A | |
| SCHEMBL18644592 | 0.72 | ALDH1A1 (0.38) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL18644574 | 0.71 | BRD4 (0.35) | TDP1 | |
| SCHEMBL18644562 | 0.70 | PARP1 (0.38) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL18645512 | 0.67 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL19737442 | 0.62 | ADRA2A (0.41) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL18644585 | 0.61 | BRD4 (0.37) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL19751510 | 0.60 | ALDH1A1 (0.49) | KDM4EALDH1A1HPGDHSD17B10 |
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 |