Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.53 |
| ▸ | BCHE | P06276 | 5/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.48 |
| ▸ | P4HB | P07237 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3692833 | 1.00 | ABCG2 (0.56) | ABCG2CYP1A1CYP1A2CYP1B1BCHE | |
| SCHEMBL3689247 | 0.91 | MAOB (0.64) | CYP1A1CYP1A2CYP1B1BCHEMAOB | |
| SCHEMBL3695625 | 0.91 | MAOB (0.64) | CYP1A1CYP1A2CYP1B1BCHEMAOB | |
| SCHEMBL3686419 | 0.89 | ABCG2 (0.53) | ABCG2CYP1A1CYP1A2CYP1B1BCHE | |
| SCHEMBL3687867 | 0.84 | BCHE (0.54) | CYP1B1BCHEMAOBACHE | |
| SCHEMBL3690207 | 0.84 | BCHE (0.54) | CYP1B1BCHEMAOBACHE | |
| SCHEMBL3689248 | 0.84 | BCHE (0.60) | ABCG2CYP1A2CYP1B1BCHEMAOB | |
| SCHEMBL3682319 | 0.83 | ABCG2 (0.60) | ABCG2CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL3690955 | 0.83 | MAPT (0.63) | ABCG2CYP1A1CYP1A2CYP1B1CYP2D6 | |
| SCHEMBL3696724 | 0.83 | MAPT (0.63) | ABCG2CYP1A1CYP1A2CYP1B1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | claimed |
| US-7642367-B2 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2010-01-05 | — | — | US | disclosed |
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | disclosed |