Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5959263 | 0.80 | MAPT (0.40) | MAPTALDH1A1HPGDRECQLTDP1 | |
| Butadiene SCHEMBL7095058 | 0.74 | MAPT (0.35) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL48973 | 0.72 | TDP1 (0.42) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL16947211 | 0.70 | ALDH1A1 (0.40) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL8627021 | 0.67 | ERBB2 (0.38) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL27713804 | 0.65 | ERBB2 (0.37) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL18235958 | 0.62 | ERBB2 (0.34) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL9115527 | 0.62 | SNCA (0.44) | MAPTALDH1A1HPGDRECQLTDP1 | |
| SCHEMBL9671032 | 0.62 | — | — | |
| SCHEMBL5141296 | 0.60 | MAOA (0.44) | MAPTALDH1A1HPGDRECQLTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344442-A1 | ESTERS OF 4,5-DISUBSTITUTED-OXY-2-METHYL-3,6-DIOXO-CYCLOHEXA-1,4-DIENYL ALKYL ACIDS AND PREPARATION THEREOF | Eastman Chemical Company (US) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010039174-A1 | ESTERS OF 4,5-DISUBSTITUTED-OXY-2-METHYL-3,6-DIOXO-CYCLOHEXA-1,4-DIENYL ALKYL ACIDS AND PREPARATION THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2010-04-08 | — | — | WO | disclosed |