Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3630631 | 1.00 | S100A4 (0.39) | S100A4PTPRCALOX15TDP1HSP90AA1 | |
| SCHEMBL2916714 | 0.81 | ALOX15 (0.35) | ALOX15TDP1CA1CA2CA7 | |
| SCHEMBL2916710 | 0.81 | ALOX15 (0.35) | ALOX15TDP1CA1CA2CA7 | |
| SCHEMBL2920798 | 0.78 | SMN1; SMN2 (0.36) | ALOX15TDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2920800 | 0.78 | SMN1; SMN2 (0.36) | ALOX15TDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL135902 | 0.77 | S100A4 (0.56) | S100A4PTPRCALOX15TDP1BCL2 | |
| SCHEMBL14070087 | 0.76 | CYP3A4 (0.41) | CA1CA2CA7CA9MAPT | |
| SCHEMBL3563332 | 0.75 | CDK4 (0.50) | S100A4HSP90AA1CDK4CCND1CDK2 | |
| SCHEMBL3574640 | 0.75 | CDK4 (0.50) | S100A4HSP90AA1CDK4CCND1CDK2 | |
| SCHEMBL3563335 | 0.75 | CDK4 (0.50) | S100A4HSP90AA1CDK4CCND1CDK2 |
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-2144881-B1 | ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA | ASTRAZENECA AB (SE) | 2012-06-20 | — | — | EP | disclosed |
| EP-2144881-A1 | ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA | AstraZeneca AB (SE) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008122765-A1 | NEW COMPOUNDS AND THEIR USES 707 | ASTRAZENECA AB (SE) | 2008-10-16 | — | — | WO | disclosed |