Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 18/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29482177 | 1.00 | IDH1 (0.38) | IDH1CXCR4MTNR1A | |
| SCHEMBL5503721 | 0.99 | IDH1 (0.37) | IDH1CXCR4MTNR1A | |
| SCHEMBL7171518 | 0.82 | NAMPT (0.37) | IDH1CXCR4MTNR1A | |
| SCHEMBL31445834 | 0.78 | GRIN2B (0.48) | CXCR4 | |
| SCHEMBL13829119 | 0.74 | ROCK2 (0.43) | CXCR4 | |
| SCHEMBL20140212 | 0.74 | IDH1 (0.33) | IDH1 | |
| SCHEMBL21905591 | 0.74 | IDH1 (0.40) | IDH1 | |
| Hydrochloric Acid SCHEMBL31582728 | 0.74 | HTR2A (0.32) | — | |
| Hydrochloric Acid SCHEMBL31583264 | 0.74 | HTR2A (0.32) | — | |
| SCHEMBL24521883 | 0.74 | HDAC1 (0.33) | IDH1 |
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-3481814-B1 | TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS | UNIV ROCKEFELLER (US) | 2022-04-27 | — | — | EP | disclosed |