Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 11/20 | 0.39 |
| ▸ | MEN1 | O00255 | 9/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3430002 | 0.80 | TAAR1 (0.51) | CA1CA2MEN1KMT2AHSD17B10 | |
| SCHEMBL3434055 | 0.80 | RAB9A (0.52) | NPC1CA1CA2GAAMEN1 | |
| SCHEMBL3426753 | 0.80 | MEN1 (0.54) | NPC1CA1CA2MEN1KMT2A | |
| SCHEMBL3430925 | 0.78 | MEN1 (0.44) | NPC1CA1CA2GAAMEN1 | |
| SCHEMBL3429605 | 0.75 | NPC1 (0.56) | NPC1GAAMEN1KMT2AHSD17B10 | |
| SCHEMBL6688096 | 0.74 | HPGD (0.49) | NPC1GAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL18825696 | 0.72 | NAMPT (0.50) | NPC1GBA1GAAMEN1KMT2A | |
| SCHEMBL7658804 | 0.71 | GAA (0.43) | NPC1GBA1GAAMEN1KMT2A | |
| SCHEMBL7658797 | 0.71 | KDM4E (0.46) | NPC1GBA1GAAMEN1KMT2A | |
| SCHEMBL9547581 | 0.71 | GAA (0.51) | NPC1GAAMEN1KMT2AMAPT |
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-2252296-A1 | 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | Wyeth LLC (US) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009091788-A1 | 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-07-23 | — | — | WO | disclosed |