Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | KIT | P10721 | 7/20 | 0.52 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.49 |
| ▸ | BRAF | P15056 | 5/20 | 0.48 |
| ▸ | EGFR | P00533 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.45 |
| ▸ | CSF1R | P07333 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20922007 | 0.87 | NR1H2 (0.61) | NR1H2KITDDR1BRAFEGFR | |
| SCHEMBL374704 | 0.82 | NR1H2 (0.64) | NR1H2KITDDR1BRAFEGFR | |
| SCHEMBL2707620 | 0.81 | NR1H2 (0.66) | NR1H2KITDDR1BRAFEGFR | |
| Hydrochloric Acid SCHEMBL3561263 | 0.81 | NR1H2 (0.62) | NR1H2KITDDR1BRAFEGFR | |
| SCHEMBL17316205 | 0.81 | NR1H2 (0.62) | NR1H2KITDDR1BRAFEGFR | |
| Hydrochloric Acid SCHEMBL3559674 | 0.80 | NR1H2 (0.61) | NR1H2KITDDR1BRAFEGFR | |
| Fluoromethane SCHEMBL28079300 | 0.80 | RET (0.47) | KITDDR1BRAFABL1CSF1R | |
| SCHEMBL3931442 | 0.79 | NR1H2 (0.60) | NR1H2KITDDR1BRAFEGFR | |
| SCHEMBL14704587 | 0.79 | KIT (0.63) | NR1H2KITDDR1BRAFEGFR | |
| SCHEMBL374710 | 0.77 | NR1H2 (0.57) | NR1H2KITDDR1BRAFEGFR |
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-104797581-B | HETEROARYL ALKYNE COMPOUND AND APPLICATION THEREOF | 南京圣和药业股份有限公司 | 2017-02-15 | — | — | CN | disclosed |