Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | AKT1 | P31749 | 10/20 | 0.45 |
| ▸ | AKT2 | P31751 | 8/20 | 0.45 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027146 | 0.91 | AKT1 (0.49) | AKT1AKT2AKT3HTR2BMAPK13 | |
| SCHEMBL4026457 | 0.84 | DRD4 (0.51) | MAPK13RAF1MAPK12MAPK11MAPK14 | |
| SCHEMBL4025941 | 0.82 | DRD2 (0.47) | AKT1AKT2AKT3MAPK13RAF1 | |
| SCHEMBL4025068 | 0.81 | GRIN2B (0.47) | NPC1RAB9AMAPK13RAF1MAPK12 | |
| SCHEMBL4033810 | 0.80 | MAPK11 (0.41) | MAPK13RAF1MAPK12MAPK11MAPK14 | |
| SCHEMBL13810833 | 0.79 | BRAF (0.47) | MAPK13RAF1MAPK12MAPK11MAPK14 | |
| SCHEMBL1387891 | 0.79 | MAPK14 (0.64) | AKT1AKT2AKT3HTR2BMAPK13 | |
| SCHEMBL4026933 | 0.79 | MAPK14 (0.64) | AKT1AKT2AKT3HTR2BMAPK13 | |
| SCHEMBL8605234 | 0.78 | NPC1 (0.47) | NPC1RAB9AMAPTHTTOPRL1 | |
| SCHEMBL8605227 | 0.77 | NPC1 (0.46) | NPC1RAB9AAKT1AKT2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0854870-B1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 2009-06-10 | — | — | EP | claimed |
| EP-0854870-B1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 2009-06-10 | — | — | EP | disclosed |