Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GFER | P55789 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL8636455 | 0.80 | ESR1 (0.45) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL3970148 | 0.78 | MAP4K4 (0.46) | MAP4K4ALDH1A1GFERPOLBTNK2 | |
| SCHEMBL27353774 | 0.74 | MAP4K4 (0.43) | MAP4K4ALDH1A1GFERPOLBTNK2 | |
| SCHEMBL15089107 | 0.71 | MAOA (0.47) | MAP4K4ALDH1A1GFERPOLBTNK2 | |
| SCHEMBL29664258 | 0.70 | MAP4K4 (0.41) | MAP4K4ALDH1A1GFERPOLBTNK2 | |
| SCHEMBL23213623 | 0.69 | HSP90AA1 (0.41) | MAP4K4ALDH1A1TNK2KDM4EMAPT | |
| SCHEMBL5005822 | 0.69 | ROCK1 (0.45) | MAP4K4ALDH1A1GFERPOLBTNK2 | |
| SCHEMBL31398143 | 0.68 | MAP4K4 (0.39) | MAP4K4ALDH1A1GFERPOLBTNK2 | |
| SCHEMBL15041407 | 0.67 | RECQL (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL11625670 | 0.66 | MAP4K4 (0.51) | MAP4K4CA12CA1CA2CA9 |
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-1781659-A2 | TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2005012304-A2 | TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-10 | — | — | WO | disclosed |