Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F12 | P00748 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917578 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KMT2AKDM4EHSD17B10MDM2 | |
| SCHEMBL8916129 | 0.77 | MDM2 (0.34) | ALDH1A1KMT2AKDM4EMDM2GSK3B | |
| SCHEMBL8919141 | 0.72 | CTH (0.31) | ALDH1A1KMT2AKDM4EMDM2POLB | |
| SCHEMBL8916767 | 0.71 | KDM5A (0.34) | ALDH1A1KMT2AKDM4EHSD17B10POLB | |
| SCHEMBL8917889 | 0.69 | CTH (0.34) | ALDH1A1KMT2AKDM4EHSD17B10POLB | |
| SCHEMBL8917001 | 0.69 | KDM4E (0.33) | ALDH1A1KMT2AKDM4EHSD17B10POLB | |
| SCHEMBL8916653 | 0.68 | SLC2A1 (0.36) | ALDH1A1KMT2AKDM4EMDM2POLB | |
| Trifluoroacetic Acid SCHEMBL9024551 | 0.68 | SLC18A3 (0.41) | — | |
| SCHEMBL20840557 | 0.67 | SLC1A2 (0.40) | ALDH1A1KMT2AKDM4EHSD17B10GRM5 | |
| SCHEMBL27793415 | 0.67 | NISCH (0.40) | ALDH1A1KMT2AKDM4EPOLB |
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-5686610-A | Pyridyl piperazine compound | PHARMACIA & UPJOHN COMPANY (US) | 1997-11-11 | — | — | US | disclosed |