Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29359021 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL855780 | 0.83 | CYP1A2 (0.55) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL22468565 | 0.80 | HTT (0.35) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL29359006 | 0.80 | HTT (0.35) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL23275137 | 0.75 | RAF1 (0.52) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL19686807 | 0.74 | RAF1 (0.54) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL31127217 | 0.72 | CYP1A2 (0.45) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL21144157 | 0.72 | CYP1A2 (0.45) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL18399090 | 0.72 | CYP1A2 (0.60) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL18398916 | 0.71 | CYP1A2 (0.56) | CYP1A2CYP2D6MAPTKMT2ARAF1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113874381-A | Inhibitors of RAF kinase | 金耐特生物制药公司 | 2021-12-31 | — | — | CN | disclosed |