Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | GLA | P06280 | 2/20 | 0.59 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA4 | P22748 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA5A | P35218 | 2/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.58 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL12801940 | 0.84 | GPR55 (0.48) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL12221078 | 0.83 | ALDH1A1 (0.61) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL1415893 | 0.83 | NPC1 (0.69) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL13521824 | 0.82 | ALDH1A1 (0.60) | NPC1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL19158900 | 0.81 | NPC1 (0.56) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL6517660 | 0.79 | AKR1B10 (0.52) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| Trifluoroacetic Acid SCHEMBL4412980 | 0.76 | NPC1 (0.48) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL20357069 | 0.76 | NPC1 (0.52) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL20370187 | 0.76 | NPC1 (0.52) | NPC1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL19338224 | 0.75 | ALDH1A1 (1.00) | NPC1RXFP1ALDH1A1HPGDKDM4E |
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-2010000592-A2 | CYCLOPEPTIDES USED AS MMP-TYPE PROTEASE ENZYME INHIBITORS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2010-01-07 | — | — | WO | disclosed |