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 | |
|---|---|---|---|---|
| Cyclooctene SCHEMBL27218566 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL7512710 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL7512291 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL7512282 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Piperidine SCHEMBL22115426 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL7512708 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Cyclohexene SCHEMBL10503982 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL18710391 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL22854438 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL27406382 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4212866-A1 | DESORBER FOR SPECTROMETER | Bruker Optics GmbH & Co. KG (DE) | 2023-07-19 | — | — | EP | disclosed |