Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | ECE1 | P42892 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7226850 | 0.96 | MMP2 (0.50) | NPC1RAB9AITGB3ITGA2BMMP2 | |
| SCHEMBL7226853 | 0.96 | MMP2 (0.50) | NPC1RAB9AITGB3ITGA2BMMP2 | |
| Methane SCHEMBL28261132 | 0.94 | MMP2 (0.49) | NPC1RAB9AITGB3ITGA2BMMP2 | |
| SCHEMBL28937048 | 0.86 | LTA4H (0.46) | NPC1RAB9AMMP2LTA4HCA1 | |
| SCHEMBL9556097 | 0.86 | LTA4H (0.46) | NPC1RAB9AMMP2LTA4HCA1 | |
| SCHEMBL6158695 | 0.85 | CA1 (0.59) | MMP2ECE1CA1CA2CA9 | |
| SCHEMBL6158692 | 0.85 | CA1 (0.59) | MMP2ECE1CA1CA2CA9 | |
| SCHEMBL8702185 | 0.83 | MME (0.52) | NPC1RAB9A | |
| Charcoal, Activated SCHEMBL29433728 | 0.82 | ANPEP (0.55) | NPC1RAB9AECE1CPB1CPB2 | |
| SCHEMBL9811914 | 0.82 | LTA4H (0.48) | NPC1RAB9ALTA4H |
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-2009058327-A1 | CYCLODEXTRIN DERIVATIVES AS POTENTIATORS FOR ANTIBIOTICS | PINNACLE PHARMACEUTICALS, INC. (US) | 2009-05-07 | — | — | WO | disclosed |