Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL5010069 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL6998033 | 0.97 | ALDH1A1 (0.56) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL7478554 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL7483946 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL1699710 | 0.94 | — | — | |
| SCHEMBL1699079 | 0.93 | — | — | |
| SCHEMBL1072553 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL421334 | 0.90 | — | — | |
| Pyrrolidine SCHEMBL9866630 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1238903 | 0.89 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6002002-A | Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions | BIOREX RESEARCH & DEVELOPMENT CO. (HU) | 1999-12-14 | — | — | US | disclosed |