Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | IKBKB | O14920 | 2/20 | 0.50 |
| ▸ | CHUK | O15111 | 2/20 | 0.50 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.50 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | HNF4A | P41235 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5959807 | 0.89 | CYP2C9 (0.58) | MEN1KMT2AIKBKBCDC25BATM | |
| SCHEMBL20147808 | 0.81 | MEN1 (0.62) | MEN1KMT2ACDC25BATMALDH1A1 | |
| SCHEMBL13291398 | 0.80 | ITGB1 (0.50) | MEN1KMT2ACDC25BATMALDH1A1 | |
| SCHEMBL27982332 | 0.79 | KMT2A (0.50) | MEN1KMT2AIKBKBCHUKIKBKE | |
| SCHEMBL1198770 | 0.77 | KMT2A (0.51) | MEN1KMT2AIKBKBCHUKIKBKE | |
| SCHEMBL1960214 | 0.77 | GSTA1 (0.43) | MEN1KMT2AIKBKBALDH1A1GSTA1 | |
| SCHEMBL593979 | 0.76 | ACMSD (0.66) | IKBKBCDC25BATMSMN1; SMN2GSTA1 | |
| SCHEMBL28431907 | 0.75 | CDC25B (0.51) | MEN1KMT2AHDAC1CDC25BATM | |
| Acetic Acid SCHEMBL27418041 | 0.75 | CYP2C9 (0.58) | MEN1KMT2ACDC25BATMALDH1A1 | |
| SCHEMBL6422025 | 0.75 | ALDH1A1 (0.56) | MEN1KMT2ACDC25BATMALDH1A1 |
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-1697394-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |