Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15831999 | 0.74 | CNR1 (0.42) | CNR1CNR2ALDH1A1NPC1HPGD | |
| SCHEMBL7219744 | 0.74 | KCNH2 (0.42) | KCNH2ALDH1A1MAPK1NPC1HPGD | |
| SCHEMBL9986072 | 0.73 | CNR1 (0.41) | CNR1CNR2AR | |
| SCHEMBL5464104 | 0.71 | CNR1 (0.40) | CNR1CNR2AR | |
| SCHEMBL19303144 | 0.71 | ALDH1A1 (0.47) | KCNH2ALDH1A1MAPK1NPC1HPGD | |
| SCHEMBL9983753 | 0.69 | HPGD (0.33) | ALDH1A1MAPK1NPC1HPGDCASP3 | |
| SCHEMBL22166117 | 0.66 | KCNH2 (0.47) | KCNH2ALDH1A1HPGDL3MBTL1AR | |
| SCHEMBL7213748 | 0.64 | KDM4E (0.44) | ALDH1A1MAPK1KDM4EHSD17B10MAPT | |
| SCHEMBL6184247 | 0.64 | MBOAT4 (0.45) | ALDH1A1NPSR1KDM4EHSD17B10MBOAT4 | |
| SCHEMBL9338962 | 0.64 | PDE4A (0.46) | CNR1ALDH1A1HPGDL3MBTL1KDM4E |
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-2011157339-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2011-12-22 | — | — | WO | disclosed |