Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4313635 | 0.79 | DYRK1A (0.38) | HDAC1KDM1ADYRK1AGAALMNA | |
| SCHEMBL8017379 | 0.78 | MELK (0.43) | CHEK1MEN1KMT2ADYRK1ANPC1 | |
| SCHEMBL3240064 | 0.76 | ROCK2 (0.39) | MEN1KMT2ADYRK1AGAAALDH1A1 | |
| SCHEMBL3242799 | 0.75 | SMN1; SMN2 (0.44) | MEN1KMT2AHDAC1LMNAALDH1A1 | |
| SCHEMBL3241352 | 0.74 | MAPK1 (0.43) | MEN1KMT2A | |
| SCHEMBL3237578 | 0.73 | DRD2 (0.45) | KMT2ALMNANPC1ALDH1A1MAPT | |
| SCHEMBL3236041 | 0.73 | SMN1; SMN2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3239905 | 0.73 | SMN1; SMN2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3244194 | 0.72 | DRD4 (0.46) | MEN1KMT2APOLB | |
| SCHEMBL3243794 | 0.72 | ENPP2 (0.40) | LMNANPC1ALDH1A1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009131958-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | claimed |