Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 5/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795739 | 0.85 | ALOX15 (0.49) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL8297344 | 0.85 | MEN1 (0.59) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16795854 | 0.84 | LMNA (0.41) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16795557 | 0.84 | HTT (0.57) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL14611953 | 0.83 | MAOB (0.58) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL8152340 | 0.83 | CYP2C9 (0.53) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16795747 | 0.82 | NPC1 (0.64) | MEN1KMT2AHPGDPRSS1 | |
| SCHEMBL10131587 | 0.81 | TSHR (0.52) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL14375953 | 0.79 | PDE4A (0.79) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL24147822 | 0.79 | TSHR (0.58) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 |
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 |