Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 2/20 | 0.30 |
| ▸ | ACACA | Q13085 | 2/20 | 0.30 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13582005 | 0.84 | CYP4F2 (0.36) | ESR1ALOX5KDM4EPPARG | |
| SCHEMBL13582003 | 0.84 | CYP4F2 (0.36) | ESR1ALOX5KDM4EPPARG | |
| SCHEMBL2231445 | 0.84 | HTR2A (0.36) | ESR1ALOX5ALOX5APPPARG | |
| SCHEMBL2298330 | 0.84 | MAPK14 (0.34) | ALOX5MAPK1NPSR1SCDMAPK14 | |
| SCHEMBL2298327 | 0.82 | CA12 (0.38) | ESR1BACE1 | |
| SCHEMBL2232843 | 0.80 | ESR1 (0.41) | ESR1ALOX5TBXAS1KDM4EPSEN1 | |
| SCHEMBL2231793 | 0.67 | PPARG (0.48) | ALOX5PSEN1PPARG | |
| SCHEMBL2235847 | 0.67 | ALOX5 (0.41) | ALOX5MAPK1PSEN1PPARG | |
| SCHEMBL13582112 | 0.67 | CYP4F2 (0.40) | ESR1KDM4E | |
| SCHEMBL13581834 | 0.67 | RAB9A (0.43) | ESR1KDM4EACACB |
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-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |