Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | IDH2 | P48735 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | LITAF | Q99732 | 1/20 | 0.32 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.31 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL14158254 | 1.00 | ALDH1A1 (0.34) | ALDH1A1GAAKDM4EGLACASP1 | |
| SCHEMBL14158118 | 0.84 | ESRRA (0.40) | ALDH1A1GAAKDM4ECASP1HSD17B10 | |
| SCHEMBL14158119 | 0.84 | ESRRA (0.40) | ALDH1A1GAAKDM4ECASP1HSD17B10 | |
| SCHEMBL14158322 | 0.82 | NOTUM (0.40) | ALDH1A1GAAKDM4EGLACASP1 | |
| SCHEMBL14158324 | 0.82 | NOTUM (0.40) | ALDH1A1GAAKDM4EGLACASP1 | |
| SCHEMBL14158155 | 0.74 | ALDH1A1 (0.37) | ALDH1A1GAAKDM4EGLACASP1 | |
| SCHEMBL14158157 | 0.74 | ALDH1A1 (0.37) | ALDH1A1GAAKDM4EGLACASP1 | |
| SCHEMBL14158076 | 0.67 | GAA (0.41) | ALDH1A1GAAKDM4EHSD17B10TNF | |
| SCHEMBL23896363 | 0.64 | ESR1 (0.40) | ALDH1A1GAAKDM4EGLACASP1 | |
| SCHEMBL29853435 | 0.63 | METAP2 (0.42) | ALDH1A1GAANPSR1MEN1KMT2A |
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-2012170371-A1 | COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-12-13 | — | — | WO | disclosed |