Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | CD38 | P28907 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | 0.85 | NPC1 (0.55) | NPC1EPHX2CD38MCHR1 | |
| SCHEMBL14984925 | 0.84 | NPC1 (0.46) | NPC1EPHX2CD38MCHR1LIPG | |
| SCHEMBL13866421 | 0.84 | NPC1 (0.46) | NPC1EPHX2CD38MCHR1LIPG | |
| SCHEMBL12820722 | 0.84 | NPC1 (0.58) | NPC1EPHX2MCHR1 | |
| SCHEMBL13798698 | 0.82 | NPC1 (0.47) | NPC1EPHX2CD38MCHR1LIPG | |
| SCHEMBL12403926 | 0.81 | EPHX2 (0.43) | NPC1EPHX2CD38MCHR1LIPG | |
| SCHEMBL18855748 | 0.80 | NPC1 (0.71) | NPC1EPHX2MCHR1LIPGEPHX1 | |
| SCHEMBL8263002 | 0.79 | NPC1 (0.50) | NPC1EPHX2MCHR1LIPGGAA | |
| SCHEMBL13993536 | 0.79 | NPC1 (0.50) | NPC1EPHX2MCHR1LIPGGAA | |
| SCHEMBL9703528 | 0.78 | NPC1 (0.75) | NPC1EPHX2MCHR1LIPGEPHX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012126084-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS | PHARMASCIENCE INC. (CA) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |
| WO-2011035416-A1 | HSP90 MODULATING COMPOUNDS, COMPOSITIONS, METHODS AND USES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |