Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1097144 | 0.86 | BRD4 (0.49) | ALDH1A1GAAKDM4EKMT2ANPSR1 | |
| SCHEMBL10810203 | 0.85 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4ETSHRNR1I2 | |
| SCHEMBL5305447 | 0.85 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4ETSHRNR1I2 | |
| SCHEMBL19932183 | 0.79 | TAS1R3 (0.42) | ALDH1A1GAAKDM4EMEN1MAPK1 | |
| SCHEMBL27625374 | 0.78 | TDP1 (0.47) | ALDH1A1GAAKDM4ETSHRMEN1 | |
| SCHEMBL15457550 | 0.78 | EPHX1 (0.57) | ALDH1A1GAAPIK3CDABL1EGFR | |
| SCHEMBL729221 | 0.78 | KMT2A (0.59) | ALDH1A1GAAKDM4EMEN1MAPK1 | |
| SCHEMBL29991357 | 0.78 | KMT2A (0.59) | ALDH1A1GAAKDM4EMEN1MAPK1 | |
| SCHEMBL2589170 | 0.77 | ALDH1A1 (0.63) | ALDH1A1GAAKDM4ETSHRMEN1 | |
| SCHEMBL30087033 | 0.77 | HSP90AA1 (0.45) | ALDH1A1GAAMEN1KMT2APKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |