Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3703487 | 0.84 | — | — | |
| SCHEMBL1957727 | 0.83 | ALDH1A1 (0.35) | PTGDR2MEN1KMT2AALDH1A1 | |
| SCHEMBL18320619 | 0.79 | PLA2G1B (0.33) | — | |
| SCHEMBL31326188 | 0.78 | CA1 (0.41) | NPC1KDM4EHSD17B10PTGDR2MEN1 | |
| SCHEMBL17420947 | 0.78 | LMNA (0.41) | NPC1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL25283521 | 0.77 | PTGDR2 (0.33) | NPC1KDM4EHSD17B10PTGDR2MEN1 | |
| SCHEMBL29393077 | 0.75 | NPC1 (0.35) | NPC1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL25286735 | 0.75 | NPC1 (0.35) | NPC1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL17427757 | 0.75 | NOS3 (0.39) | NPC1KDM4EHSD17B10KMT2AALDH1A1 | |
| SCHEMBL18650420 | 0.75 | — | — |
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-2016202800-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2016-12-22 | — | — | WO | disclosed |