Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | AR | P10275 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL997472 | 1.00 | ABCG2 (0.65) | ABCG2ABCB1MAOBCXCL12MAPT | |
| SCHEMBL996700 | 0.85 | ABCG2 (0.56) | ABCG2ABCB1MAOBCXCL12MAPT | |
| SCHEMBL996701 | 0.85 | ABCG2 (0.56) | ABCG2ABCB1MAOBCXCL12MAPT | |
| SCHEMBL997735 | 0.83 | MAPT (0.62) | ABCG2MAOBMAPTNPSR1MEN1 | |
| SCHEMBL997734 | 0.83 | MAPT (0.62) | ABCG2MAOBMAPTNPSR1MEN1 | |
| SCHEMBL996606 | 0.80 | AR (0.50) | ABCG2ABCB1MAOBCXCL12MAPT | |
| SCHEMBL996603 | 0.80 | AR (0.50) | ABCG2ABCB1MAOBCXCL12MAPT | |
| SCHEMBL19423222 | 0.79 | ABCG2 (0.74) | ABCG2ABCB1MAOBCXCL12MAPT | |
| SCHEMBL29443544 | 0.79 | ABCG2 (1.00) | ABCG2MAOBMAPTSMN1; SMN2KDM4E | |
| SCHEMBL997048 | 0.79 | ABCG2 (0.65) | ABCG2MAOBCXCL12MAPTAR |
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 |