Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 4/20 | 0.37 |
| ▸ | WEE1 | P30291 | 2/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10050791 | 0.71 | CA12 (0.31) | TGFBR1TGFBR2GSK3B | |
| SCHEMBL10075906 | 0.66 | CHEK1 (0.52) | CHEK1WEE1CDK5CDK5R1GSK3B | |
| SCHEMBL10075907 | 0.62 | CDK5 (0.55) | CDK5CDK5R1MAPTFLT3CYP1A1 | |
| SCHEMBL27549068 | 0.61 | NR1I2 (0.68) | CHEK1WEE1MEN1POLBGAA | |
| SCHEMBL20685664 | 0.59 | ACHE (0.55) | CHEK1WEE1MEN1POLBGAA | |
| SCHEMBL12987394 | 0.59 | NPC1 (0.53) | MEN1POLBKMT2AMAPTALK | |
| SCHEMBL6506227 | 0.58 | WEE1 (0.48) | CHEK1WEE1MEN1POLBGAA | |
| SCHEMBL12987550 | 0.57 | ESR1 (0.46) | FEN1 | |
| SCHEMBL15797297 | 0.56 | GSK3B (0.64) | MEN1GAAKMT2AMAPTGSK3B | |
| SCHEMBL27048226 | 0.56 | CHEK1 (0.56) | CHEK1WEE1CDK5CDK5R1GSK3B |
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 |