Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 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 | |
|---|---|---|---|---|
| SCHEMBL2232581 | 0.82 | ALOX5 (0.42) | ALOX5PTGESPPARGPSEN1 | |
| SCHEMBL2298336 | 0.80 | ESR1 (0.36) | ESR1TBXAS1KDM4EALOX5PPARG | |
| SCHEMBL2231445 | 0.80 | HTR2A (0.36) | ESR1ALOX5PPARG | |
| SCHEMBL2232840 | 0.79 | MAPT (0.35) | ESR1TBXAS1KDM4EMAPTPPARA | |
| SCHEMBL13582500 | 0.78 | ESR1 (0.43) | ESR1KDM4EALDH1A1PPARA | |
| SCHEMBL13582495 | 0.78 | ESR1 (0.43) | ESR1KDM4EALDH1A1PPARA | |
| SCHEMBL13582204 | 0.77 | ESR1 (0.35) | ESR1KDM4EMAPTALDH1A1 | |
| SCHEMBL13582212 | 0.77 | ESR1 (0.35) | ESR1KDM4EMAPTALDH1A1 | |
| SCHEMBL2232838 | 0.77 | CA12 (0.54) | ESR1NPC1RAB9A | |
| SCHEMBL2389163 | 0.72 | CYP2C9 (0.46) | ESR1TBXAS1ALDH1A1ALOX5NPC1 |
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 |