Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAC1 | P63000 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | CCR4 | P51679 | 3/20 | 0.45 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3392739 | 0.89 | CCR4 (0.54) | RAC1MAPTKCNH3HSP90AA1HSP90AB1 | |
| SCHEMBL2639296 | 0.81 | RAC1 (0.98) | RAC1MAPTKCNH3CCR4TERT | |
| SCHEMBL3389936 | 0.81 | RAC1 (0.79) | RAC1MAPTKCNH3CCR4CACNA2D1 | |
| Hydrochloric Acid SCHEMBL3511071 | 0.81 | RAC1 (1.00) | RAC1MAPTKCNH3CCR4TERT | |
| SCHEMBL3389918 | 0.77 | CCR4 (0.54) | RAC1MAPTKCNH3CCR4CACNA2D1 | |
| SCHEMBL13868216 | 0.76 | RAC1 (0.81) | RAC1MAPTKCNH3CCR4TERT | |
| SCHEMBL3389001 | 0.72 | CCR4 (0.52) | RAC1MAPTKCNH3HSP90AA1HSP90AB1 | |
| SCHEMBL879557 | 0.71 | CCR4 (0.53) | RAC1MAPTKCNH3HSP90AA1HSP90AB1 | |
| SCHEMBL3392632 | 0.70 | RAC1 (0.58) | RAC1MAPTKCNH3CCR4TMEM97 | |
| SCHEMBL14825396 | 0.70 | RAC1 (0.80) | RAC1MAPTTERT |
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-2241555-A1 | New RAC1 inhibitors as potential pharmacological agents for heart failure treatment | UNIVERSITA' DEGLI STUDI DI MILANO (IT) | 2010-10-20 | — | — | EP | claimed |
| EP-2258370-A1 | Treatment of malignant diseases | Medizinische Universität Wien (AT) | 2010-12-08 | — | — | EP | disclosed |
| WO-2010119050-A1 | NEW RAC1 INHIBITORS AS POTENTIAL PHARMACOLOGICAL AGENTS FOR HEART FAILURE TREATMENT | UNIVERSITA' DEGLI STUDI DI MILANO (IT) | 2010-10-21 | — | — | WO | disclosed |
| EP-2241555-A1 | New RAC1 inhibitors as potential pharmacological agents for heart failure treatment | UNIVERSITA' DEGLI STUDI DI MILANO (IT) | 2010-10-20 | — | — | EP | disclosed |