Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAC1 | P63000 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 8/20 | 0.44 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.43 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.43 |
| ▸ | CCR4 | P51679 | 3/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3389160 | 0.89 | TSHR (0.48) | MAPTRAC1ALDH1A1HTTKMT2A | |
| SCHEMBL3392632 | 0.70 | RAC1 (0.58) | MAPTRAC1CACNA2D1KCNH3CCR4 | |
| SCHEMBL3391848 | 0.70 | ALDH1A1 (0.55) | MAPTALDH1A1KMT2ACACNA2D1KDM4E | |
| SCHEMBL24654627 | 0.69 | ALDH1A1 (0.61) | MAPTALDH1A1MEN1CYP1A2CYP2D6 | |
| SCHEMBL1089296 | 0.69 | ALDH1A1 (0.61) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3388177 | 0.68 | RAC1 (0.51) | MAPTRAC1CACNA2D1KCNH3CCR4 | |
| SCHEMBL3392735 | 0.67 | MAPT (0.51) | MAPTRAC1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL13329876 | 0.66 | ALDH1A1 (0.57) | MAPTALDH1A1MEN1CYP1A2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL3727545 | 0.66 | RAC1 (0.69) | MAPTRAC1CACNA2D1KCNH3CCR4 | |
| Hydrochloric Acid SCHEMBL29559185 | 0.65 | RAC1 (0.49) | MAPTRAC1CACNA2D1KCNH3CCR4 |
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-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 |
| 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 |