Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ACLY | P53396 | 2/20 | 0.38 |
| ▸ | FADS1 | O60427 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | ACOX3 | O15254 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084724 | 0.89 | ALDH1A1 (0.45) | CSNK2A1ALDH1A1GAAEGFRAURKA | |
| SCHEMBL11086602 | 0.85 | ALDH1A1 (0.41) | CSNK2A1ALDH1A1GAAEGFRAURKA | |
| SCHEMBL11084270 | 0.81 | MEN1 (0.37) | ALDH1A1EGFRKDRCSF1RMEN1 | |
| SCHEMBL11080774 | 0.81 | NPC1 (0.42) | ALDH1A1GAADHODHMEN1KMT2A | |
| SCHEMBL11084914 | 0.79 | KDR (0.46) | ALDH1A1GAAKDRCSF1RNPC1 | |
| SCHEMBL11085398 | 0.78 | MAPT (0.41) | ALDH1A1GAAAURKARETMET | |
| SCHEMBL11092605 | 0.76 | L3MBTL1 (0.43) | GAAKDRAURKBMEN1KMT2A | |
| SCHEMBL4900637 | 0.74 | AXL (0.43) | CSNK2A1CLK4MKNK2MEN1KMT2A | |
| SCHEMBL11092541 | 0.71 | KMT2A (0.40) | ALDH1A1GAAEGFRCSF1RDHODH | |
| SCHEMBL10406124 | 0.70 | KMT2A (0.41) | KDRCLK4MKNK2MEN1KMT2A |
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-0126970-A2 | Anxiolytic and anti-depressant thienopyridine derivatives | BEECHAM GROUP PLC (GB) | 1984-12-05 | — | — | EP | disclosed |