Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.56 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.43 |
| ▸ | ANPEP | P15144 | 6/20 | 0.41 |
| ▸ | RNPEP | Q9H4A4 | 3/20 | 0.41 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 2/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4595827 | 1.00 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL1911122 | 1.00 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| Hydrochloric Acid SCHEMBL56161 | 0.98 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| Hydrochloric Acid SCHEMBL56160 | 0.98 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| Hydrochloric Acid SCHEMBL3223338 | 0.98 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| Trifluoroacetic Acid SCHEMBL2494882 | 0.87 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL18774975 | 0.80 | SLC7A5 (0.50) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL18774973 | 0.79 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP | |
| SCHEMBL24049287 | 0.79 | ANPEP (0.45) | SLC7A5ANPEPRNPEPDNPEPMMP1 | |
| SCHEMBL6857551 | 0.79 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2ANPEPRNPEP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481541-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-07-09 | — | — | US | claimed |
| US-8481541-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-07-09 | — | — | US | disclosed |
| EP-1871379-A2 | CYANOARYLAMINES | Smithkline Beecham Corporation (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006113552-A2 | CYANOARYLAMINES | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |