Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 5/20 | 0.50 |
| ▸ | ELANE | P08246 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | CTSV | O60911 | 1/20 | 0.50 |
| ▸ | PLG | P00747 | 1/20 | 0.50 |
| ▸ | CMA1 | P23946 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.50 |
| ▸ | LONP1 | P36776 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.41 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.41 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.41 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.41 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10258198 | 1.00 | ABCG2 (0.51) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL2409932 | 0.99 | ABCG2 (0.52) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL15247708 | 0.99 | ABCG2 (0.52) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL2409946 | 0.99 | ABCG2 (0.52) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL3198890 | 0.99 | ABCG2 (0.52) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL2409941 | 0.99 | ABCG2 (0.52) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL3223467 | 0.91 | ABCG2 (0.51) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL464151 | 0.89 | ABCG2 (0.53) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL1013602 | 0.88 | ABCG2 (0.54) | ABCG2CTSBELANECTSLCTSV | |
| SCHEMBL12011280 | 0.88 | ABCG2 (0.54) | ABCG2CTSBELANECTSLCTSV |
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-2368878-A1 | Peptidomimetic protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-28 | — | — | EP | disclosed |