Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5513111 | 0.77 | CYP2C19 (0.50) | CYP2C19CYP2C9SMN1; SMN2GAAMAPT | |
| SCHEMBL3433977 | 0.77 | SMN1; SMN2 (0.65) | CYP2C19CYP2C9SMN1; SMN2MAPTHPGD | |
| SCHEMBL4592734 | 0.74 | POLB (0.56) | CYP2C19CYP2C9SMN1; SMN2GAAMAPT | |
| SCHEMBL19128705 | 0.74 | CYP2C9 (0.47) | CYP2C19CYP2C9SMN1; SMN2GAAMAPT | |
| SCHEMBL1848179 | 0.73 | CYP2C9 (1.00) | CYP2C19CYP2C9SMN1; SMN2GAAMAPT | |
| SCHEMBL5239461 | 0.72 | CA12 (0.39) | SMN1; SMN2KDM4ETSHR | |
| SCHEMBL750539 | 0.72 | CYP2C9 (0.41) | CYP2C19CYP2C9SMN1; SMN2GAAMAPT | |
| SCHEMBL19214101 | 0.72 | RAB9A (0.48) | CYP2C19CYP2C9SMN1; SMN2GAAMAPT | |
| SCHEMBL5710042 | 0.70 | CA12 (0.40) | SMN1; SMN2LMNAKDM4ETSHRTP53 | |
| Iodide SCHEMBL10827771 | 0.69 | SMN1; SMN2 (0.56) | SMN1; SMN2GAANPC1RAB9ALMNA |
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 |