Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 8/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15046450 | 0.91 | ALDH1A1 (0.55) | ALDH1A1GRM5CA2CA1CA5A | |
| SCHEMBL15046477 | 0.90 | GRM5 (0.43) | ALDH1A1GRM5GABRA2GABRB2CA2 | |
| SCHEMBL15033935 | 0.90 | GRM5 (0.43) | ALDH1A1GRM5GABRA2GABRB2CA2 | |
| SCHEMBL15046461 | 0.87 | GABRA2 (0.42) | ALDH1A1GABRA2GABRB2PTGS1MAPT | |
| SCHEMBL15033983 | 0.86 | GABRA2 (0.48) | ALDH1A1GRM5GABRA2GABRB2SRC | |
| SCHEMBL15034007 | 0.82 | ALDH1A1 (0.49) | ALDH1A1GRM5SRCPTGS1PTGS2 | |
| SCHEMBL15046452 | 0.81 | MAPT (0.52) | ALDH1A1GABRA2GABRB2PTGS2MAPT | |
| SCHEMBL15046453 | 0.80 | ALDH1A3 (0.49) | ALDH1A1SRCMAPT | |
| SCHEMBL15033933 | 0.79 | PTGS1 (0.41) | ALDH1A1GRM5GABRA2GABRB2PTGS1 | |
| SCHEMBL15034542 | 0.78 | GRM5 (0.61) | GRM5 |
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-2013087806-A1 | PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | WO | disclosed |