Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 5/20 | 0.50 |
| ▸ | PTGES | O14684 | 4/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | IAPP | P10997 | 3/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31256756 | 0.88 | IAPP (0.60) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL2394182 | 0.85 | BACE1 (0.47) | PPARGIAPPCAPN1BACE1ESR1 | |
| SCHEMBL13103445 | 0.84 | ALOX5 (0.49) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL2232408 | 0.84 | ALOX5 (0.47) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL3437103 | 0.84 | ALOX5 (0.49) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL2235010 | 0.84 | ALOX5 (0.47) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL3437102 | 0.84 | ALOX5 (0.49) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL16429273 | 0.83 | APP (0.62) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL16429275 | 0.83 | APP (0.62) | ALOX5PTGESPPARGIAPPCAPN1 | |
| SCHEMBL30839919 | 0.83 | APP (0.62) | ALOX5PTGESPPARGIAPPCAPN1 |
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 |