Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 4/20 | 0.61 |
| ▸ | BRAF | P15056 | 7/20 | 0.60 |
| ▸ | CSF1R | P07333 | 1/20 | 0.58 |
| ▸ | ABL1 | P00519 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | CLK1 | P49759 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | BCR | P11274 | 1/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13660025 | 0.90 | KIT (0.67) | KITBRAFCSF1RABL1HTT | |
| SCHEMBL14318406 | 0.88 | KIT (0.77) | KITBRAFCSF1RABL1EGFR | |
| SCHEMBL29562197 | 0.88 | KIT (0.77) | KITBRAFCSF1RABL1EGFR | |
| SCHEMBL28054362 | 0.88 | HTT (0.65) | KITBRAFHTTCLK1MAPT | |
| Hydrochloric Acid SCHEMBL29833672 | 0.88 | KIT (0.75) | KITBRAFCSF1RABL1EGFR | |
| SCHEMBL18484171 | 0.87 | KIT (0.81) | KITBRAFCSF1RABL1HTT | |
| SCHEMBL4256157 | 0.87 | KIT (0.64) | KITBRAFCSF1RABL1HTT | |
| SCHEMBL30032225 | 0.87 | KIT (0.66) | KITBRAFABL1EGFR | |
| SCHEMBL4256154 | 0.86 | KIT (0.62) | KITBRAFCSF1RABL1HTT | |
| SCHEMBL4249619 | 0.85 | KIT (0.63) | KITBRAFCSF1RABL1HTT |
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-104341425-A | Deuterated acetylenic derivative, pharmaceutical composition and application thereof | SHANGHAI PHARMACEUTICALS HOLDING CO LTD | 2015-02-11 | — | — | CN | disclosed |