Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.66 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7096590 | 0.92 | NPC1 (0.66) | ABCG2CYP1A1CYP1A2CYP2D6NPC1 | |
| SCHEMBL7102316 | 0.85 | ABCG2 (0.82) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL7100718 | 0.84 | ABCG2 (0.66) | ABCG2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21643397 | 0.84 | ABCG2 (0.71) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL29802986 | 0.84 | ABCG2 (0.71) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL7099543 | 0.84 | NR1H4 (0.70) | CYP1A1CYP1A2CYP2D6CYP1B1CYP3A4 | |
| SCHEMBL7097768 | 0.83 | ABCG2 (0.68) | ABCG2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7097770 | 0.83 | MAPT (0.71) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL7097693 | 0.83 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL1764954 | 0.82 | ABCG2 (0.86) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 |
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 |