Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | GLA | P06280 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401326 | 0.98 | CYP1A2 (0.74) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22837224 | 0.92 | CD274 (0.62) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18874231 | 0.89 | CD274 (0.59) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30969330 | 0.88 | ALDH1A1 (0.71) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3543817 | 0.87 | CD274 (0.92) | ALDH1A1CYP1A2CYP2D6CD274POLB | |
| SCHEMBL9199198 | 0.87 | LMNA (0.67) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29605727 | 0.86 | CYP1A2 (0.74) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15109600 | 0.86 | CYP1A2 (0.60) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23828895 | 0.85 | ALDH1A1 (0.64) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2493968 | 0.84 | ALDH1A1 (0.71) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2975042-A1 | NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY | Boehringer Ingelheim International GmbH (DE) | 2016-01-20 | — | — | EP | disclosed |
| CN-102014914-A | 3H-[1,2,3]triazolo[4,5-D]pyrimidine compounds, their use as MTOR kinase and PI3 kinase inhibitors, and their syntheses | WYETH CORP | 2011-04-13 | — | — | CN | disclosed |
| 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 |
| US-20090181963-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) | 2009-07-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090181963-A1 | 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | MTOR, PIK3CA, PIK3CD | ALDH1A1 3181/4885NPSR1 3950/4885CYP1A2 2632/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.