Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13609800 | 0.87 | CDK4 (0.42) | PDGFRBCHEK1CA12CA1CA9 | |
| SCHEMBL10075906 | 0.80 | CHEK1 (0.52) | CHEK1ROCK2 | |
| SCHEMBL10050791 | 0.71 | CA12 (0.31) | CA12CA1CA9 | |
| SCHEMBL8128221 | 0.69 | PDGFRB (0.70) | PDGFRBCHEK1KDM4EROCK2CDK4 | |
| SCHEMBL8113701 | 0.67 | PDGFRB (0.49) | PDGFRBCHEK1GABRA1GABRG2GABRB3 | |
| SCHEMBL5223967 | 0.66 | MAOA (0.53) | CA12CA1CA9KDM4EHSD17B10 | |
| SCHEMBL16504230 | 0.65 | CDK4 (0.60) | CHEK1GABRA1GABRG2GABRB3ROCK2 | |
| SCHEMBL23915925 | 0.64 | MAOB (0.50) | CA12CA1CA9 | |
| SCHEMBL28536275 | 0.62 | CA12 (0.44) | CA12CA1CA9KDM4EHSD17B10 | |
| SCHEMBL8125099 | 0.61 | PDGFRB (0.54) | PDGFRBKDM4EROCK2CDK4CCND1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106039-B2 | Metal complex phosphatidyl-inositol-3-kinase inhibitors | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-01-31 | — | — | US | disclosed |