Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CDC25B | P30305 | 2/20 | 0.48 |
| ▸ | CDC25A | P30304 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3910111 | 0.85 | EGFR (0.61) | MAPK14ALDH1A1TSHRLMNAMAPT | |
| SCHEMBL406399 | 0.84 | MAPK14 (0.44) | PDK2MAPK14ALDH1A1TSHRLMNA | |
| SCHEMBL536555 | 0.84 | NOTUM (0.52) | PDK2ALDH1A1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL16502432 | 0.82 | MAPT (0.48) | MAPK14ALDH1A1TSHRLMNAGAA | |
| SCHEMBL4652479 | 0.81 | SLC6A4 (0.57) | ALDH1A1TSHRLMNAGAAHTT | |
| SCHEMBL7844717 | 0.81 | KAT6A (0.53) | PDK2ALDH1A1TSHRMAPTCA12 | |
| SCHEMBL26118036 | 0.80 | TSHR (0.57) | PDK2ALDH1A1TSHRLMNAGAA | |
| SCHEMBL2409870 | 0.80 | TSHR (0.49) | PDK2MAPK14ALDH1A1TSHRLMNA | |
| SCHEMBL2437425 | 0.80 | TSHR (0.49) | PDK2MAPK14ALDH1A1TSHRLMNA | |
| SCHEMBL3492780 | 0.79 | NQO2 (0.49) | MAPK14ALDH1A1TSHRLMNAGAA |
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-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |