Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.37 |
| ▸ | MAPK3 | P27361 | 3/20 | 0.37 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.37 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2302746 | 0.87 | DYRK1A (0.39) | CDK7DYRK1AMAPK1MAPK3 | |
| SCHEMBL13157461 | 0.85 | DYRK1A (0.40) | CDK7ALDH1A1DYRK1AMAPK1MAPK3 | |
| SCHEMBL2302570 | 0.84 | ALDH1A1 (0.42) | TBXAS1ALDH1A1TGM2DYRK1AMAPK1 | |
| SCHEMBL2302573 | 0.84 | ALDH1A1 (0.42) | TBXAS1ALDH1A1TGM2DYRK1AMAPK1 | |
| SCHEMBL12426726 | 0.84 | ALDH1A1 (0.42) | TBXAS1ALDH1A1TGM2DYRK1AMAPK1 | |
| SCHEMBL2300680 | 0.76 | JAK2 (0.41) | CDK7MAP2K4MAPK1MAPK3MAPKAPK3 | |
| SCHEMBL12427667 | 0.76 | MAPK1 (0.44) | CDK7MAP2K4MAPK1MAPK3MAPKAPK3 | |
| SCHEMBL12427150 | 0.74 | JAK2 (0.40) | CDK7MAPK1MAPK3 | |
| SCHEMBL2303898 | 0.73 | KDM4E (0.42) | ALDH1A1MAPK1MAPK3 | |
| SCHEMBL2303902 | 0.73 | KDM4E (0.42) | ALDH1A1MAPK1MAPK3 |
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-2351737-A1 | 3-Amino-1-arylpropyl indoles and aza-substituted indoles | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| WO-2007062996-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | disclosed |