Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL996701 | 1.00 | ABCG2 (0.56) | ABCG2MAOBABCB1TNFRSF1ACYSLTR1 | |
| SCHEMBL997652 | 0.86 | MAPT (0.54) | ABCG2TNFRSF1ACYSLTR1SMN1; SMN2MAPT | |
| SCHEMBL997653 | 0.86 | MAPT (0.54) | ABCG2TNFRSF1ACYSLTR1SMN1; SMN2MAPT | |
| SCHEMBL997472 | 0.85 | ABCG2 (0.65) | ABCG2MAOBABCB1SMN1; SMN2MAPT | |
| SCHEMBL997474 | 0.85 | ABCG2 (0.65) | ABCG2MAOBABCB1SMN1; SMN2MAPT | |
| SCHEMBL997068 | 0.84 | MAPT (0.59) | TNFRSF1ASMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL997071 | 0.84 | MAPT (0.59) | TNFRSF1ASMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL996233 | 0.83 | ABCB1 (0.47) | MAOBABCB1CYSLTR1MAPTLMNA | |
| SCHEMBL996235 | 0.83 | ABCB1 (0.47) | MAOBABCB1CYSLTR1MAPTLMNA | |
| SCHEMBL996877 | 0.81 | ABCG2 (0.56) | ABCG2TNFRSF1ACYSLTR1SMN1; SMN2MAPT |
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 |