Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | RARB | P10826 | 8/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RARA | P10276 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11590735 | 0.95 | TP53 (0.56) | TP53TSHRRARBPLA2G4BALDH1A1 | |
| SCHEMBL2231026 | 0.95 | TP53 (0.56) | TP53TSHRRARBPLA2G4BALDH1A1 | |
| SCHEMBL959756 | 0.93 | RARB (0.53) | TP53TSHRRARBPLA2G4BALDH1A1 | |
| SCHEMBL2433670 | 0.89 | HSD17B3 (0.53) | TP53TSHRRARBPLA2G4BALDH1A1 | |
| Benzoic Acid SCHEMBL871900 | 0.88 | TSHR (0.50) | TSHRRARBALDH1A1SIGMAR1 | |
| SCHEMBL11590781 | 0.88 | RARB (0.51) | TP53TSHRRARBPLA2G4BALDH1A1 | |
| SCHEMBL8378009 | 0.86 | RARB (0.70) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL8380764 | 0.86 | RARB (0.61) | TP53TSHRRARBALDH1A1MEN1 | |
| SCHEMBL8376557 | 0.86 | RARB (0.70) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL8086241 | 0.84 | SIGMAR1 (0.62) | MEN1KMT2ASIGMAR1 |
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-7320993-B1 | Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents | ASTELLAS DEUTSCHLAND GMBH (DE) | 2008-01-22 | — | — | US | disclosed |