Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28882448 | 0.91 | PIN1 (0.49) | PIN1MMP8POLBNPSR1SMN1; SMN2 | |
| SCHEMBL10723170 | 0.86 | CYP3A4 (0.48) | SMN1; SMN2MAPTCYP2C19ALDH1A1GAA | |
| SCHEMBL10727675 | 0.86 | ALDH1A1 (0.44) | POLBNPSR1SMN1; SMN2MAPTTHRB | |
| SCHEMBL10724853 | 0.85 | ALDH1A1 (0.43) | MAPTALDH1A1RECQLCACNA1GGAA | |
| SCHEMBL10724757 | 0.85 | GAA (0.38) | PIN1GAA | |
| SCHEMBL10725042 | 0.84 | ALDH1A1 (0.41) | SMN1; SMN2MAPTALDH1A1CACNA1G | |
| SCHEMBL16795719 | 0.83 | PIN1 (0.37) | PIN1MMP8POLBNPSR1SMN1; SMN2 | |
| SCHEMBL10724756 | 0.81 | MAPT (0.40) | PIN1MMP8POLBMAPTALDH1A1 | |
| SCHEMBL16732173 | 0.81 | PIN1 (0.50) | PIN1MMP8POLBNPSR1SMN1; SMN2 | |
| SCHEMBL10722478 | 0.80 | L3MBTL1 (0.43) | POLBSMN1; SMN2MAPTCYP2C19ALDH1A1 |
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-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |