Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13306274 | 1.00 | — | — | |
| SCHEMBL2091285 | 0.94 | HDAC2 (0.54) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL8139006 | 0.92 | NPSR1 (0.52) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL8136367 | 0.92 | NPSR1 (0.52) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL18361885 | 0.91 | NPC1 (0.56) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL84810 | 0.91 | NPC1 (0.61) | NPSR1NPC1KDM4ECA12CA1 | |
| SCHEMBL25150712 | 0.90 | NPSR1 (0.50) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL8149886 | 0.90 | NPSR1 (0.50) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL25150721 | 0.90 | NPSR1 (0.55) | NPSR1NPC1KDM4EMAPK1HIF1A | |
| SCHEMBL861660 | 0.90 | CYP2C19 (0.53) | NPSR1NPC1DRD2DRD4CYP2C19 |
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-2008030390-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |