Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29368425 | 1.00 | CASP1 (0.48) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL49477 | 1.00 | CASP1 (0.48) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 | |
| Hydrochloric Acid SCHEMBL11217552 | 0.98 | CASP1 (0.46) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 | |
| Isopropylbenzene SCHEMBL28478258 | 0.86 | ALDH1A1 (0.38) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL30102587 | 0.82 | ANPEP (0.41) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL2379856 | 0.82 | ANPEP (0.41) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL17385275 | 0.81 | CASP1 (0.44) | CASP1ALDH1A1CYP3A4HSD17B10GAA | |
| SCHEMBL28710669 | 0.81 | CASP1 (0.44) | CASP1ANPEPALDH1A1CYP3A4GAA | |
| SCHEMBL213570 | 0.81 | CASP1 (0.44) | CASP1ALDH1A1CYP3A4HSD17B10GAA | |
| SCHEMBL27780867 | 0.81 | CASP1 (0.44) | CASP1ANPEPALDH1A1CYP3A4HSD17B10 |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |