Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.65 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL998110 | 1.00 | ABCG2 (0.65) | ABCG2TNFRSF1AALDH1A1MAPTLMNA | |
| SCHEMBL996385 | 0.92 | TNFRSF1A (0.58) | ABCG2TNFRSF1AALDH1A1MAPTLMNA | |
| SCHEMBL996382 | 0.92 | TNFRSF1A (0.58) | ABCG2TNFRSF1AALDH1A1MAPTLMNA | |
| SCHEMBL22230028 | 0.89 | MAPT (0.69) | ABCG2TNFRSF1AALDH1A1MAPTLMNA | |
| SCHEMBL22230030 | 0.89 | MAPT (0.69) | ABCG2TNFRSF1AALDH1A1MAPTLMNA | |
| SCHEMBL998483 | 0.85 | ABCG2 (0.68) | ABCG2TNFRSF1AMAPTKDM4EGAA | |
| SCHEMBL998480 | 0.85 | ABCG2 (0.68) | ABCG2TNFRSF1AMAPTKDM4EGAA | |
| SCHEMBL995795 | 0.84 | TNFRSF1A (0.52) | ABCG2TNFRSF1AALDH1A1KDM4EHPGD | |
| SCHEMBL995798 | 0.84 | TNFRSF1A (0.52) | ABCG2TNFRSF1AALDH1A1KDM4EHPGD | |
| SCHEMBL997900 | 0.84 | MAPT (0.76) | ABCG2TNFRSF1AALDH1A1MAPTLMNA |
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 |