Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.73 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.73 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.73 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.73 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.73 |
| ▸ | SCN1A | P35498 | 3/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.73 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.73 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.73 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL13841515 | 1.00 | KDM4E (0.73) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL3683666 | 0.93 | CYP3A4 (0.75) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL3678059 | 0.93 | KDM4E (0.74) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL13700758 | 0.92 | CYP3A4 (0.74) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL3675730 | 0.92 | CYP3A4 (0.78) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL13841519 | 0.92 | CYP3A4 (0.78) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL3677893 | 0.91 | KDM4E (0.77) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL2145740 | 0.91 | CYP3A4 (0.72) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL3673210 | 0.89 | CYP3A4 (0.75) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 | |
| SCHEMBL5866995 | 0.89 | KDM4E (0.79) | KDM4ECYP2D6ALDH1A1ABCB1SLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7531662-B2 | Cinchona-alkaloid-based catalysts, and asymmetric alcoholysis of cyclic anhydrides using them | BRANDEIS UNIVERSITY (US) | 2009-05-12 | — | — | US | disclosed |