Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14889017 | 0.77 | MAPT (0.37) | KMT2ACYP1A2CYP3A4CYP2C19CA12 | |
| SCHEMBL24533248 | 0.77 | CA12 (0.43) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL19881529 | 0.75 | TLR8 (0.54) | KMT2ACYP1A2CYP3A4CYP2C9PKM | |
| SCHEMBL3581846 | 0.74 | SMN1; SMN2 (0.39) | KMT2AALDH1A1DYRK1APOLB | |
| SCHEMBL16213834 | 0.73 | CA12 (0.38) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL754722 | 0.73 | KMT2A (0.58) | KMT2AMEN1CA12CA1CA2 | |
| SCHEMBL14889035 | 0.72 | DGAT1 (0.34) | — | |
| SCHEMBL30554013 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL2062301 | 0.72 | KMT2A (0.40) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30060346 | 0.72 | KMT2A (0.44) | KMT2AMEN1PKMPDE4AADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601192-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012018909-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-09 | — | — | WO | disclosed |