Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PI4KA | P42356 | 4/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3643112 | 0.94 | CYP2C19 (0.56) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL219612 | 0.83 | CYP2C19 (0.68) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5740769 | 0.80 | PI4KA (0.71) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL115599 | 0.79 | CYP2C19 (0.68) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29683060 | 0.79 | CYP2C19 (0.68) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| Methane SCHEMBL10552077 | 0.78 | CYP2C19 (0.67) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL1998927 | 0.75 | PI4KA (0.71) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| Methane SCHEMBL10551641 | 0.74 | PI4KA (0.69) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29878437 | 0.73 | CYP2C19 (0.53) | CYP2C19PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL14964635 | 0.72 | PI4KA (0.60) | CYP2C19PI4KAPI4K2BPI4K2API4KB |
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-2170887-A2 | HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS | Amgen Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008153947-A2 | HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS | AMGEN INC. (US) | 2008-12-18 | — | — | WO | disclosed |