Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.33 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12820365 | 0.98 | NPC1 (0.55) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL12820372 | 0.84 | NPC1 (0.46) | NPC1MCHR1EPHX2 | |
| SCHEMBL16016535 | 0.80 | NPC1 (0.88) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL13939521 | 0.80 | NPC1 (0.88) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL385701 | 0.77 | NPC1 (0.63) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL385702 | 0.77 | NPC1 (0.63) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL14654909 | 0.75 | NPC1 (0.60) | NPC1MCHR1HRH3CYP1A2CYP2C9 | |
| SCHEMBL15029590 | 0.75 | NPC1 (0.60) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL13367 | 0.75 | NPC1 (0.66) | NPC1MCHR1HRH3LTA4HPSMB1 | |
| SCHEMBL79601 | 0.74 | NPC1 (0.63) | NPC1MCHR1HRH3LTA4HPSMB1 |
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-2011035416-A1 | HSP90 MODULATING COMPOUNDS, COMPOSITIONS, METHODS AND USES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |