Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1894719 | 0.80 | KDM4E (0.40) | ALDH1A1ALOX15ATMHSD17B10KDM4E | |
| SCHEMBL13625909 | 0.76 | ACHE (0.34) | — | |
| SCHEMBL27771409 | 0.74 | CYP19A1 (0.41) | ALDH1A1KDM5ANPSR1KDM4EGAA | |
| SCHEMBL1893086 | 0.73 | PPARG (0.45) | — | |
| SCHEMBL27792506 | 0.72 | PPARG (0.36) | ALDH1A1KDM5AKDM4EGAACYP2D6 | |
| SCHEMBL2871115 | 0.72 | ACHE (0.45) | — | |
| SCHEMBL13626516 | 0.70 | AGTR1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL12348734 | 0.70 | PPARG (0.40) | ALDH1A1KDM5AKDM4EGAACYP2D6 | |
| SCHEMBL1892338 | 0.70 | APLNR (0.36) | CYP2C19MAPT | |
| SCHEMBL4013362 | 0.69 | MAPK1 (0.37) | ALDH1A1ALOX15ATMHSD17B10TDP2 |
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-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |