Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 8/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3988576 | 0.86 | GAA (0.69) | GAAMAPTBCHESIGMAR1MEN1 | |
| SCHEMBL3986690 | 0.85 | GAA (0.50) | GAAMAPTBCHEMEN1KMT2A | |
| SCHEMBL15283274 | 0.84 | GAA (0.76) | GAAMAPTBCHESIGMAR1MEN1 | |
| SCHEMBL3991056 | 0.83 | GAA (0.47) | GAAMAPTBCHEMEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL15859332 | 0.82 | GAA (0.73) | GAAMAPTBCHESIGMAR1MEN1 | |
| SCHEMBL3991227 | 0.80 | ALDH1A1 (0.46) | GAAMAPTBCHEMEN1KMT2A | |
| SCHEMBL27228 | 0.78 | GAA (0.95) | GAAMAPTBCHESIGMAR1MEN1 | |
| SCHEMBL8224396 | 0.77 | KDM4E (0.55) | MAPTCYP3A4CYP2D6NOS1 | |
| SCHEMBL11877395 | 0.76 | GAA (0.76) | GAAMAPTBCHESIGMAR1MEN1 | |
| SCHEMBL21049878 | 0.76 | GAA (0.63) | GAAMAPTBCHESIGMAR1MEN1 |
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 4 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 | claimed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | claimed |
| 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 |