Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.70 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.55 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KRAS | P01116 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7102437 | 0.91 | ABCG2 (0.70) | ABCG2PTPN1ABCB1NR1H4MAOA | |
| SCHEMBL7096880 | 0.86 | NR1H4 (0.74) | PTPN1ABCB1NR1H4CYP1A2CYP1A1 | |
| SCHEMBL7101379 | 0.85 | ABCG2 (0.85) | ABCG2PTPN1CYP1A2CYP1A1CYP2D6 | |
| SCHEMBL7192430 | 0.85 | ABCG2 (0.85) | ABCG2PTPN1CYP1A2CYP1A1CYP2D6 | |
| SCHEMBL7100872 | 0.84 | MAOB (0.69) | ABCG2PTPN1ABCB1NR1H4CYP1A2 | |
| SCHEMBL7097238 | 0.83 | PTPN1 (0.74) | ABCG2PTPN1ABCB1NR1H4NPC1 | |
| SCHEMBL979720 | 0.83 | ABCG2 (0.87) | ABCG2NR1H4CYP1A2CYP1A1CYP2D6 | |
| SCHEMBL979719 | 0.83 | ABCG2 (0.87) | ABCG2NR1H4CYP1A2CYP1A1CYP2D6 | |
| SCHEMBL14760795 | 0.82 | ABCB1 (0.82) | ABCG2ABCB1CYP1A2CYP1A1CYP2D6 | |
| SCHEMBL16257539 | 0.82 | NR1H4 (0.74) | ABCG2ABCB1NR1H4CYP1A2CYP1A1 |
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 2 patents. 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 | claimed |
| 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 |