Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709483 | 0.86 | CYP11B1 (0.40) | CYP11B1CYP11B2CYP2D6SMN1; SMN2KMT2A | |
| SCHEMBL10033098 | 0.77 | ALOX5AP (0.39) | CYP11B1CYP11B2ALDH1A1ALOX5APFEN1 | |
| SCHEMBL10032970 | 0.71 | CYP11B1 (0.40) | CYP11B1CYP11B2KMT2AALDH1A1MEN1 | |
| SCHEMBL1339687 | 0.71 | CYP11B1 (0.51) | CYP11B1CYP11B2SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL1709493 | 0.70 | CYP2D6 (0.37) | CYP11B1CYP11B2CYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL8276669 | 0.68 | CYP2D6 (0.45) | CYP11B1CYP11B2CYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL10033190 | 0.68 | L3MBTL1 (0.33) | ALOX5APFEN1L3MBTL1 | |
| SCHEMBL1254599 | 0.67 | CYP2D6 (0.49) | CYP11B1CYP11B2CYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL8827880 | 0.67 | HSD17B1 (0.41) | CYP11B1CYP11B2ALDH1A1HSD17B1NLRP3 | |
| SCHEMBL15653541 | 0.66 | MGAM (0.46) | CYP2D6SMN1; SMN2CYP1A2KMT2AALDH1A1 |
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-2012046771-A1 | CYCLOALKANE COMPOUND | アステラス製薬株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |