Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 10/20 | 0.45 |
| ▸ | MTOR | P42345 | 10/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14642496 | 0.81 | PIK3CD (0.44) | PIK3CDPIK3CAMTORMAP4K4CYP1A2 | |
| SCHEMBL6893225 | 0.81 | PIK3CA (0.46) | PIK3CDPIK3CAMTOR | |
| SCHEMBL12138047 | 0.80 | PIK3CD (0.47) | PIK3CDMTORLTA4HNOS3NOS2 | |
| SCHEMBL7877533 | 0.76 | PIK3CD (0.50) | PIK3CDMTORLTA4HNOS3NOS2 | |
| SCHEMBL10157356 | 0.76 | PIK3CA (0.65) | PIK3CDPIK3CAMTORNOS3NOS2 | |
| SCHEMBL10157336 | 0.76 | PIK3CA (0.60) | PIK3CDPIK3CAMTORNOS3NOS2 | |
| SCHEMBL6893216 | 0.75 | CYP2A6 (0.50) | CYP1A2 | |
| SCHEMBL16461405 | 0.74 | LMNA (0.47) | CYP1A2 | |
| SCHEMBL10158171 | 0.71 | PIK3CA (0.68) | PIK3CDPIK3CAMTORMKNK1MKNK2 | |
| SCHEMBL10158181 | 0.71 | MTOR (0.64) | PIK3CAMTORMAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011092198-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |