Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.59 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ADH5 | P11766 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KDM6B | O15054 | 1/20 | 0.45 |
| ▸ | KDM5C | P41229 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.45 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23484572 | 0.89 | SLC6A3 (0.54) | SRD5A2EGFRPTGS2ALDH1A1KDM4E | |
| SCHEMBL3910111 | 0.89 | EGFR (0.61) | EGFRPTGS2ALDH1A1KDM4ECA12 | |
| SCHEMBL6252554 | 0.88 | ALDH1A1 (0.51) | SRD5A2EGFRPTGS2ALDH1A1KDM4E | |
| SCHEMBL8437946 | 0.88 | CA1 (0.58) | SRD5A2EGFRPTGS2ALDH1A1KDM4E | |
| SCHEMBL1528932 | 0.86 | KDM4E (0.59) | SRD5A2EGFRPTGS2ALDH1A1KDM4E | |
| SCHEMBL6253145 | 0.85 | SRD5A2 (0.72) | SRD5A2ADH5TNKS2KDM4ERXRA | |
| SCHEMBL31097924 | 0.84 | EGFR (0.56) | EGFRPTGS2ALDH1A1KDM4ECA1 | |
| Hydrochloric Acid SCHEMBL9812960 | 0.83 | SRD5A2 (0.70) | SRD5A2ADH5TNKS2KDM4ERXRA | |
| SCHEMBL7402540 | 0.83 | SLC2A1 (0.56) | EGFRPTGS2ADH5ALDH1A1KDM4E | |
| SCHEMBL4300304 | 0.83 | SRD5A2 (0.60) | SRD5A2EGFRTSHR |
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 |