Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.57 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 6/20 | 0.56 |
| ▸ | F3 | P13726 | 1/20 | 0.54 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3686419 | 0.91 | ABCG2 (0.53) | BCHEACHEABCG2CYP3A4MAOB | |
| SCHEMBL3695625 | 0.89 | MAOB (0.64) | BCHEACHECYP3A4NFKB1NFKB2 | |
| SCHEMBL3689247 | 0.89 | MAOB (0.64) | BCHEACHECYP3A4NFKB1NFKB2 | |
| SCHEMBL3691580 | 0.87 | BCHE (0.56) | BCHEACHEABCG2CYP3A4NFKB1 | |
| SCHEMBL3696162 | 0.87 | BCHE (0.56) | BCHEACHEABCG2CYP3A4NFKB1 | |
| SCHEMBL3687869 | 0.87 | BCHE (0.54) | BCHEACHEMAOBTNFRSF1AMAPT | |
| SCHEMBL3688870 | 0.86 | MAOB (0.53) | ABCG2RELAMAOBMAPTLMNA | |
| SCHEMBL3690957 | 0.85 | MAPT (0.63) | CYP3A4RELATNFRSF1AMAPTLMNA | |
| SCHEMBL3682320 | 0.85 | ABCG2 (0.60) | ABCG2NFKB1RELAMAPTLMNA | |
| SCHEMBL3686416 | 0.84 | ABCG2 (0.56) | BCHEACHEABCG2CYP3A4MAOB |
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 |