Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
| ▸ | RAC1 | P63000 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13970422 | 0.83 | ESR1 (0.50) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1180172 | 0.83 | KDM4E (0.53) | CYP11B1CYP11B2HSD17B1HSD17B2AKR1C3 | |
| SCHEMBL1179536 | 0.82 | CYP11B1 (0.56) | CYP11B1CYP11B2HSD17B1HSD17B2AKR1C3 | |
| SCHEMBL9196872 | 0.73 | KDM4E (0.64) | AKR1C3AKR1C2CYP1A2TDP1L3MBTL1 | |
| SCHEMBL9593388 | 0.73 | KDM4E (0.64) | AKR1C3AKR1C2CYP1A2TDP1L3MBTL1 | |
| SCHEMBL12051687 | 0.72 | HSD17B1 (0.83) | CYP11B1CYP11B2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL11723032 | 0.72 | HSD17B1 (0.83) | CYP11B1CYP11B2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL13580704 | 0.71 | CES2 (0.64) | — | |
| SCHEMBL21990664 | 0.71 | CES2 (0.64) | — | |
| SCHEMBL30485128 | 0.71 | CES2 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009005998-A1 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-01-08 | — | — | WO | disclosed |