Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | CXCL12 | P48061 | 5/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL996603 | 1.00 | AR (0.50) | ARMAOBCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL995788 | 0.95 | ABCB1 (0.51) | ARMAOBCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL995789 | 0.95 | ABCB1 (0.51) | ARMAOBCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL997734 | 0.87 | MAPT (0.62) | MAOBCYP1A2CYP3A4MAOAABCG2 | |
| SCHEMBL997735 | 0.87 | MAPT (0.62) | MAOBCYP1A2CYP3A4MAOAABCG2 | |
| SCHEMBL996233 | 0.85 | ABCB1 (0.47) | ARMAOBMAOAABCB1CXCL12 | |
| SCHEMBL996235 | 0.85 | ABCB1 (0.47) | ARMAOBMAOAABCB1CXCL12 | |
| SCHEMBL996200 | 0.83 | PDE4A (0.64) | ARMAOBCYP3A4ABCG2MEN1 | |
| SCHEMBL996198 | 0.83 | PDE4A (0.64) | ARMAOBCYP3A4ABCG2MEN1 | |
| SCHEMBL996825 | 0.82 | ABCG2 (0.64) | ARMAOBMAOACXCL12ABCG2 |
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-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | claimed |
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |