Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 5/20 | 0.31 |
| ▸ | APP | P05067 | 4/20 | 0.31 |
| ▸ | RAF1 | P04049 | 3/20 | 0.31 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | ARAF | P10398 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8555812 | 0.81 | TGM2 (0.50) | TGM2CES1PDE3BPDE3ATDP2 | |
| SCHEMBL6264592 | 0.76 | CA1 (0.40) | PARP1LRRK2MAPTCYP1A2CYP2C19 | |
| SCHEMBL4752422 | 0.76 | CES1 (0.44) | TGM2CES1LRRK2LMNACYP1A2 | |
| SCHEMBL3817144 | 0.76 | CES1 (0.44) | TGM2CES1LRRK2LMNACYP1A2 | |
| SCHEMBL473854 | 0.76 | TGM2 (0.44) | TGM2CES1TDP2LRRK2NTRK1 | |
| SCHEMBL4753132 | 0.76 | TGM2 (0.44) | TGM2CES1TDP2LRRK2NTRK1 | |
| SCHEMBL4750469 | 0.76 | CA1 (0.40) | PARP1LRRK2MAPTCYP1A2CYP2C19 | |
| SCHEMBL1401519 | 0.76 | ROS1 (0.41) | LRRK2MAPTLMNACYP1A2POLB | |
| SCHEMBL1695075 | 0.76 | CA9 (0.38) | PARP1MAPTCSNK2A1MEN1TP53 | |
| SCHEMBL6221498 | 0.73 | KIF11 (0.40) | MAPTMEN1TP53HPGDALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2038272-A2 | PYRIDINONYL PDK1 INHIBITORS | Sunesis Pharmaceuticals, Inc. (US) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008005457-A2 | PYRIDINONYL PDK1 INHIBITORS | SUNESIS PHARMACEUTICALS (US) | 2008-01-10 | — | — | WO | disclosed |
| EP-1347982-A2 | SPIRO ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES | Neurogen Corporation (US) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002048152-A2 | SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES | NEUROGEN CORPORATION (US) | 2002-06-20 | — | — | WO | disclosed |