Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17612974 | 0.89 | BRAF (0.41) | BRAFABL1 | |
| SCHEMBL12397281 | 0.87 | ABL1 (0.40) | BRAFCYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL13960393 | 0.79 | BRAF (0.37) | BRAFCYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL12397363 | 0.77 | ABL1 (0.44) | BRAFABL1 | |
| SCHEMBL12397372 | 0.77 | ABL1 (0.42) | BRAFABL1 | |
| SCHEMBL12397347 | 0.77 | ABL1 (0.46) | BRAFABL1 | |
| SCHEMBL12397355 | 0.77 | ABL1 (0.46) | BRAFABL1 | |
| SCHEMBL17612891 | 0.77 | BRAF (0.42) | BRAFCYP2C9MAPTABL1ACKR3 | |
| SCHEMBL12397291 | 0.76 | ABL1 (0.51) | ABL1 | |
| SCHEMBL12464981 | 0.76 | ABL1 (0.40) | BRAFABL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173734-B1 | CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2016-03-23 | — | — | EP | disclosed |