Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GBA1 | P04062 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | TYK2 | P29597 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PLEC | Q15149 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118235 | 0.91 | ALDH1A1 (0.53) | ALDH1A1KDM4EPOLBGBA1MAPT | |
| SCHEMBL20118188 | 0.83 | KDM4E (0.47) | KDM4EHSD17B10 | |
| SCHEMBL18208702 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4EPOLBGBA1MAPT | |
| SCHEMBL18208588 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4EPOLBGBA1MAPT | |
| SCHEMBL18208590 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4EPOLBGBA1MAPT | |
| SCHEMBL20118187 | 0.79 | PDE4B (0.41) | HPGDCRHR1CRHR2HSD11B1PDE4D | |
| SCHEMBL20118174 | 0.78 | CRHR1 (0.40) | HPGDCRHR1CRHR2PDE4B | |
| SCHEMBL20118407 | 0.78 | PDE4B (0.40) | CRHR1CRHR2PDE4B | |
| SCHEMBL20118213 | 0.77 | LMNA (0.42) | HPGDCRHR1CRHR2PDE4B | |
| SCHEMBL20118184 | 0.77 | CRHR1 (0.39) | HPGDCRHR1CRHR2PDE4B |
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-2018078009-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |