Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 10/20 | 0.56 |
| ▸ | WNT3A | P56704 | 7/20 | 0.56 |
| ▸ | TNKS | O95271 | 3/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.43 |
| ▸ | GUSB | P08236 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 4/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 4/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.41 |
| ▸ | GCGR | P47871 | 3/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1035604 | 0.70 | TNKS2 (0.70) | TNKS2WNT3ATNKSPARP2GUSB | |
| SCHEMBL2074075 | 0.69 | ALDH1A1 (0.42) | TNKS2WNT3AGAAKDM4ENPC1 | |
| SCHEMBL1035001 | 0.68 | TNKS2 (0.68) | TNKS2WNT3ATNKSPARP2GUSB | |
| SCHEMBL9378641 | 0.66 | TNKS2 (0.42) | TNKS2WNT3ATNKSPARP2GUSB | |
| SCHEMBL5914302 | 0.66 | BTK (0.64) | TNKS2WNT3ATNKSPARP2GUSB | |
| SCHEMBL10563173 | 0.65 | MAPK13 (0.54) | TNKS2TNKSPARP2GUSBMAPK1 | |
| SCHEMBL1032368 | 0.65 | TNKS2 (0.52) | TNKS2WNT3ATNKSPARP2GUSB | |
| SCHEMBL9748575 | 0.64 | MAPK13 (0.83) | MAPK13MAPK12MAPK11MAPK14GCGR | |
| SCHEMBL7782072 | 0.64 | TNKS2 (0.71) | TNKS2WNT3ATNKSPARP2GUSB | |
| SCHEMBL2824450 | 0.64 | KDM4E (0.61) | MAPK1GAAKDM4EALDH1A1HPGD |
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-3172212-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2017-05-31 | — | — | EP | disclosed |
| WO-2016014736-A1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-28 | — | — | WO | disclosed |