Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18279383 | 0.96 | — | — | |
| SCHEMBL1894089 | 0.96 | CXCR4 (0.57) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Piperazine SCHEMBL5730316 | 0.93 | ALDH1A1 (0.61) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL20523496 | 0.89 | — | — | |
| SCHEMBL27902303 | 0.89 | CXCR4 (0.69) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL30338212 | 0.89 | CXCR4 (0.69) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Azetidine SCHEMBL18173537 | 0.89 | ALDH1A1 (0.67) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL27866208 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL472205 | 0.85 | CXCR4 (0.75) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| SCHEMBL14088956 | 0.84 | ALDH1A1 (0.90) | 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-3864020-A1 | MACROCYCLIC FLU ENDONUCLEASE INHIBITORS | Janssen BioPharma, Inc. (US) | 2021-08-18 | — | — | EP | disclosed |