Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | F12 | P00748 | 1/20 | 0.54 |
| ▸ | NCF1 | P14598 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | NOS2 | P35228 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15940603 | 0.90 | ADORA2A (0.54) | PLAUCYP2A6F12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL8116929 | 0.89 | ADORA2A (0.53) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL17370957 | 0.89 | CHAT (0.49) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL3790627 | 0.87 | GRM5 (0.51) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL2431412 | 0.85 | CYP2A6 (0.48) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL12324740 | 0.84 | PLAU (0.49) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL29620166 | 0.84 | GRM5 (0.50) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL20593925 | 0.84 | PLAU (0.41) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL15947641 | 0.84 | PLAU (0.49) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL30018552 | 0.84 | PLAU (0.41) | PLAUCYP2A6F12NCF1NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9879004-B2 | Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 | MERCK PATENT GMBH (DE) | 2018-01-30 | — | — | US | disclosed |
| WO-2014121883-A1 | SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | WO | disclosed |