Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL996233 | 1.00 | ABCB1 (0.47) | ABCB1MAOBMAOACYSLTR2CYSLTR1 | |
| SCHEMBL997652 | 0.90 | MAPT (0.54) | CYSLTR1MEN1MAPTKMT2ANPC1 | |
| SCHEMBL997653 | 0.90 | MAPT (0.54) | CYSLTR1MEN1MAPTKMT2ANPC1 | |
| SCHEMBL995788 | 0.90 | ABCB1 (0.51) | ABCB1MAOBMAOAARMEN1 | |
| SCHEMBL995789 | 0.90 | ABCB1 (0.51) | ABCB1MAOBMAOAARMEN1 | |
| SCHEMBL996606 | 0.85 | AR (0.50) | ABCB1MAOBMAOAARMEN1 | |
| SCHEMBL996603 | 0.85 | AR (0.50) | ABCB1MAOBMAOAARMEN1 | |
| SCHEMBL996875 | 0.85 | ABCG2 (0.56) | CYSLTR2CYSLTR1MEN1MAPTKMT2A | |
| SCHEMBL996877 | 0.85 | ABCG2 (0.56) | CYSLTR2CYSLTR1MEN1MAPTKMT2A | |
| SCHEMBL996701 | 0.83 | ABCG2 (0.56) | ABCB1MAOBCYSLTR1MEN1MAPT |
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 1 patent. 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 | disclosed |