Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.86 |
| ▸ | MAOA | P21397 | 2/20 | 0.75 |
| ▸ | CA1 | P00915 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | KRAS | P01116 | 2/20 | 0.63 |
| ▸ | CTSL | P07711 | 1/20 | 0.60 |
| ▸ | CTSB | P07858 | 1/20 | 0.60 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.58 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15155219 | 0.90 | ABCG2 (0.94) | ABCG2MAOAKRASTNFRSF1AAURKA | |
| SCHEMBL15155210 | 0.90 | ABCG2 (0.94) | ABCG2MAOAKRASTNFRSF1AAURKA | |
| SCHEMBL4610668 | 0.85 | ABCG2 (0.85) | ABCG2MAOAAURKALMNAMAPT | |
| SCHEMBL7192430 | 0.85 | ABCG2 (0.85) | ABCG2MAOACA1CA2KRAS | |
| SCHEMBL4610666 | 0.85 | ABCG2 (0.85) | ABCG2MAOAAURKALMNAMAPT | |
| SCHEMBL7101379 | 0.85 | ABCG2 (0.85) | ABCG2MAOACA1CA2KRAS | |
| SCHEMBL7102437 | 0.85 | ABCG2 (0.70) | ABCG2MAOAKRASAURKAPTPN1 | |
| SCHEMBL19880046 | 0.84 | ABCG2 (0.83) | ABCG2MAOATNFRSF1AAURKALMNA | |
| SCHEMBL7192054 | 0.83 | TNFRSF1A (0.84) | ABCG2CTSLCTSBTNFRSF1APTPN1 | |
| SCHEMBL7097765 | 0.83 | ABCG2 (0.81) | ABCG2MAOAKRASTNFRSF1AAURKA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003097577-A1 | CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME | SYNTH'E163 (SOCIETE ANONYME) (FR) | 2003-11-27 | — | — | WO | disclosed |