Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 12/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15743946 | 0.84 | HSD17B2 (0.56) | HSD17B2MDM2 | |
| SCHEMBL11092704 | 0.83 | HSD17B2 (0.51) | HSD17B2MDM2SRD5A1 | |
| SCHEMBL13547532 | 0.79 | MDM2 (0.40) | HSD17B2MDM2SIGMAR1 | |
| SCHEMBL13413595 | 0.79 | SIGMAR1 (0.43) | HSD17B2MDM2SIGMAR1 | |
| SCHEMBL13395242 | 0.79 | SIGMAR1 (0.31) | HSD17B2SIGMAR1 | |
| SCHEMBL13413307 | 0.74 | SIGMAR1 (0.32) | HSD17B2SIGMAR1 | |
| SCHEMBL11090155 | 0.72 | CYP19A1 (0.50) | HSD17B2SIGMAR1 | |
| SCHEMBL11088745 | 0.68 | KMT2A (0.45) | GAA | |
| SCHEMBL15743991 | 0.67 | FADS1 (0.41) | MDM2 | |
| SCHEMBL20794237 | 0.67 | FADS1 (0.41) | MDM2 |
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-8735435-B2 | CETP inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-27 | — | — | US | disclosed |