Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ADH5 | P11766 | 2/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812955 | 0.89 | SRD5A2 (0.53) | SRD5A2HSD17B1HSD17B2ALDH1A1KDM4E | |
| SCHEMBL29140064 | 0.87 | SRD5A2 (0.60) | SRD5A2CSNK2A1CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL2044221 | 0.87 | SRD5A2 (0.60) | SRD5A2CSNK2A1CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL23484573 | 0.85 | SRD5A2 (0.58) | SRD5A2HSD17B1HSD17B2KDM4EADH5 | |
| SCHEMBL9812968 | 0.84 | TSHR (0.46) | SRD5A2HSD17B1HSD17B2ALDH1A1KDM4E | |
| SCHEMBL7367792 | 0.84 | MAPT (0.55) | SRD5A2CSNK2A1CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL27881482 | 0.84 | SRD5A2 (0.61) | SRD5A2CSNK2A1CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL9490431 | 0.81 | BCAT2 (0.44) | ALDH1A1KMT2AEGFRMEN1 | |
| SCHEMBL1353027 | 0.81 | PTGS2 (0.49) | SRD5A2ALDH1A1L3MBTL1EGFR | |
| SCHEMBL29240129 | 0.81 | SRD5A2 (0.46) | SRD5A2CSNK2A1CYP2A6HSD17B1HSD17B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023288253-A1 | SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-01-19 | — | — | WO | disclosed |
| EP-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | disclosed |