Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.59 |
| ▸ | RXRB | P28702 | 1/20 | 0.59 |
| ▸ | KMO | O15229 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.51 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.51 |
| ▸ | ADH5 | P11766 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | DDT | P30046 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL442436 | 0.90 | SRD5A2 (0.62) | RXRARXRBKMOSRD5A2PTGER1 | |
| SCHEMBL2044221 | 0.89 | SRD5A2 (0.60) | RXRARXRBKMOTSHRSRD5A2 | |
| SCHEMBL25598474 | 0.87 | CNR2 (0.55) | RXRARXRBTSHRSRD5A2TNKS2 | |
| SCHEMBL3208003 | 0.86 | KMO (0.62) | RXRARXRBKMOSRD5A2HSD17B1 | |
| SCHEMBL2371293 | 0.86 | KMO (0.61) | RXRARXRBKMOFOLH1PTGER1 | |
| SCHEMBL6253145 | 0.83 | SRD5A2 (0.72) | RXRARXRBTSHRSRD5A2FOLH1 | |
| SCHEMBL23380737 | 0.83 | RXRA (0.64) | RXRARXRBTSHRSRD5A2TNKS2 | |
| SCHEMBL2769863 | 0.82 | TSHR (0.71) | RXRARXRBTSHRSRD5A2TNKS2 | |
| Hydrochloric Acid SCHEMBL9812960 | 0.81 | SRD5A2 (0.70) | RXRARXRBTSHRSRD5A2FOLH1 | |
| SCHEMBL5841701 | 0.81 | RXRA (0.57) | RXRARXRBKMOTSHRFOLH1 |
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 |