Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27623653 | 0.84 | BACE1 (0.34) | BACE1MAPK1CYP4F2CYP4A11KDM4E | |
| SCHEMBL4149112 | 0.80 | MAPK1 (0.39) | MAPK1KDM4EALDH1A1USP2SMN1; SMN2 | |
| SCHEMBL27604769 | 0.79 | BACE1 (0.34) | BACE1MAPK1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL27604940 | 0.77 | NTSR1 (0.35) | MAPK1KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL4139741 | 0.74 | VCAM1 (0.34) | KDM4EALDH1A1SMN1; SMN2BLMTDP1 | |
| SCHEMBL16620077 | 0.73 | ALDH1A1 (0.37) | MAPK1KDM4EALDH1A1CYP2C19MAPT | |
| SCHEMBL1199662 | 0.73 | MAPK1 (0.36) | MAPK1KDM4EALDH1A1CYP2C19MAPT | |
| SCHEMBL16025801 | 0.71 | ELANE (0.44) | MAPK1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL31522409 | 0.71 | ACSS2 (0.45) | MAPK1KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL9986928 | 0.71 | KDM4E (0.43) | KDM4EALDH1A1HSD17B10HPGD |
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-1656079-A | Pyrazole compounds and pharmaceutical compositions containing the same | EISAI CO LTD (JP) | 2005-08-17 | — | — | CN | disclosed |