Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3692694 | 0.84 | ABCG2 (0.68) | CYP1A1CYP1B1CYP1A2CYP3A4ABCG2 | |
| SCHEMBL3687798 | 0.84 | ABCG2 (0.68) | CYP1A1CYP1B1CYP1A2CYP3A4ABCG2 | |
| SCHEMBL5915484 | 0.83 | TUBB1 (0.60) | TUBB1MCL1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL4852282 | 0.81 | TUBB1 (0.58) | TUBB1MCL1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL3690153 | 0.81 | ABCG2 (0.48) | ABCG2TNFRSF1A | |
| SCHEMBL3684938 | 0.81 | ABCG2 (0.48) | ABCG2TNFRSF1A | |
| SCHEMBL3687310 | 0.80 | ABCG2 (0.67) | CYP1A1CYP1B1CYP1A2CYP3A4ABCG2 | |
| SCHEMBL3693509 | 0.80 | ABCG2 (0.67) | CYP1A1CYP1B1CYP1A2CYP3A4ABCG2 | |
| SCHEMBL3686114 | 0.80 | MEN1 (0.57) | CYP3A4ABCG2MAPTMEN1USP2 | |
| SCHEMBL9363281 | 0.79 | TUBB1 (0.64) | TUBB1MCL1CYP1A1CYP1B1CYP1A2 |
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 |