Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | CDC25B | P30305 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CDC25A | P30304 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5310650 | 0.90 | CDC25B (0.40) | BACE1CDC25BIDO1ALDH1A1LMNA | |
| SCHEMBL3707104 | 0.83 | CDC25B (0.41) | BACE1CDC25BIDO1ALDH1A1LMNA | |
| SCHEMBL9562305 | 0.80 | BACE1 (0.47) | BACE1CDC25BIDO1ALDH1A1LMNA | |
| SCHEMBL10566394 | 0.75 | MAOA (0.40) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL2591449 | 0.75 | GAPDH (0.31) | GAPDH | |
| SCHEMBL342143 | 0.73 | PKM (0.39) | LMNAMAPTHPGDMAOBTP53 | |
| SCHEMBL710125 | 0.72 | PTGS2 (0.34) | CDC25BCDC25A | |
| SCHEMBL30502984 | 0.72 | PTGS2 (0.34) | CDC25BCDC25A | |
| SCHEMBL6555840 | 0.71 | BACE1 (0.75) | BACE1CDC25BIDO1ALDH1A1LMNA | |
| SCHEMBL6259869 | 0.71 | MAPT (0.36) | CDC25BIDO1ALDH1A1LMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2454258-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-05-23 | — | — | EP | claimed |
| WO-2011006569-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | claimed |
| EP-2454258-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006569-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | disclosed |