Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13819007 | 0.95 | NOS1 (0.46) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL12401897 | 0.93 | NOS1 (0.45) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL12401872 | 0.91 | CYP3A4 (0.43) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL8780954 | 0.91 | NOS1 (0.50) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL13537270 | 0.87 | ESR1 (0.52) | CYP3A4HIF1ABLMSLC6A3HSD17B10 | |
| SCHEMBL10308996 | 0.87 | NOS1 (0.41) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL5645511 | 0.85 | IDO1 (0.50) | IDO1 | |
| SCHEMBL21485091 | 0.84 | NOS1 (0.58) | NOS1NPC1RAB9AHDAC1HDAC3 | |
| Hydrochloric Acid SCHEMBL4717388 | 0.84 | IDO1 (0.52) | IDO1 | |
| Hydrochloric Acid SCHEMBL1625456 | 0.83 | NOS1 (0.56) | NOS1NPC1RAB9AHDAC1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8003633-B1 | Anti-cancer compositions and methods | THE PENN STATE RESEARCH FOUNDATION (US) | 2011-08-23 | — | — | US | disclosed |