Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MPO | P05164 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3991512 | 0.80 | GAA (0.63) | GAAMAPTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL27688886 | 0.76 | KDM4E (0.84) | GAAMAPTKDM4EALDH1A1LTA4H | |
| SCHEMBL10399489 | 0.76 | KDM4E (0.84) | GAAMAPTKDM4EALDH1A1LTA4H | |
| SCHEMBL27228 | 0.75 | GAA (0.95) | GAAMAPTKDM4EALDH1A1MPO | |
| SCHEMBL21153747 | 0.75 | GAA (0.56) | GAAMAPTKDM4EALDH1A1LTA4H | |
| SCHEMBL15283274 | 0.74 | GAA (0.76) | GAAMAPTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL25432637 | 0.73 | GAA (0.91) | GAAMAPTKDM4EALDH1A1MPO | |
| Hydrochloric Acid SCHEMBL1983401 | 0.73 | GAA (1.00) | GAAMAPTKDM4EALDH1A1CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL23581968 | 0.73 | GAA (0.91) | GAAMAPTKDM4EALDH1A1MPO | |
| SCHEMBL11881258 | 0.73 | GAA (0.91) | GAAMAPTKDM4EALDH1A1LTA4H |
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-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |