Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448767 | 0.95 | CTSK (0.43) | TDP1CTSKCTSSCAPN1CA1 | |
| SCHEMBL7438051 | 0.90 | CA1 (0.41) | CTSKCTSSCAPN1CA1CA2 | |
| SCHEMBL7437472 | 0.82 | CTSK (0.44) | CTSKCTSSCAPN1CA1CA2 | |
| SCHEMBL7438236 | 0.79 | CA1 (0.45) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL7445788 | 0.79 | CA1 (0.45) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL7442619 | 0.79 | CTSK (0.51) | CTSKCTSSCAPN1CA1CA2 | |
| SCHEMBL7443440 | 0.78 | CA1 (0.48) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL7430737 | 0.78 | CA1 (0.40) | CTSKCTSSCAPN1CA1CA2 | |
| SCHEMBL7442736 | 0.77 | CTSK (0.53) | TDP1CTSKCTSSCAPN1EPHX1 | |
| SCHEMBL7346299 | 0.77 | CAPN1 (0.50) | TDP1CTSKCTSSCAPN1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6187905-B1 | PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES | HOFFMANN-LA ROCHE INC. | 2001-02-13 | — | — | US | disclosed |