Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | GYS1 | P13807 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24315366 | 0.79 | CYP2A6 (0.58) | KMT2APTGS2 | |
| SCHEMBL14519450 | 0.76 | RPS6KA3 (0.66) | PIK3CATRPA1POLBKMT2AAKT1 | |
| SCHEMBL29890279 | 0.74 | MAPT (0.48) | POLBKMT2A | |
| SCHEMBL28406041 | 0.74 | MAPT (0.48) | POLBKMT2A | |
| SCHEMBL23585203 | 0.74 | IDO1 (0.43) | TRPA1HTR7HTR1AHTR1DHTR2A | |
| SCHEMBL20004292 | 0.73 | CDK2 (0.46) | TRPA1HTR7HTR1AHTR1DHTR2A | |
| SCHEMBL6132077 | 0.72 | TGFBR1 (0.56) | KMT2AHTR7HTR1AHTR1DHTR2A | |
| SCHEMBL13516120 | 0.72 | LMNA (0.62) | KMT2AHTR7HTR1AHTR1DHTR2A | |
| SCHEMBL15314097 | 0.72 | AKT2 (0.62) | POLBKMT2AAKT1HTR7HTR1A | |
| SCHEMBL12265094 | 0.72 | IDO1 (0.44) | TRPA1KMT2AAKT1HTR7HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1435957-A4 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMA (US) | 2005-04-13 | — | — | EP | claimed |
| EP-1435957-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | Vertex Pharmaceuticals Incorporated (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2002088078-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | claimed |