Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352872 | 0.84 | ABCG2 (0.64) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL28088258 | 0.83 | KDM4E (0.64) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL27948316 | 0.82 | ABCG2 (0.66) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL29839900 | 0.82 | ABCG2 (0.66) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL28088011 | 0.81 | LMNA (0.58) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL28212030 | 0.81 | MAPK14 (0.55) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL28088013 | 0.81 | KMT2A (0.53) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL28832758 | 0.80 | CSNK2A2 (0.64) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL4650702 | 0.78 | ABCG2 (1.00) | ABCG2ALDH1A1KDM4ECYP3A4HSD17B10 | |
| SCHEMBL28088149 | 0.78 | TNKS (0.49) | ALDH1A1KDM4ECYP3A4HSD17B10L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105837539-A | Method for substituting 2-site aryl for 3-site fluoro of benzofuran ring | 复旦大学 | 2016-08-10 | — | — | CN | disclosed |