Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SRC | P12931 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 11/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15046474 | 0.91 | ALDH1A1 (0.45) | ALDH1A1SRCGRM5MAPTCA1 | |
| SCHEMBL15034007 | 0.91 | ALDH1A1 (0.49) | ALDH1A1SRCGRM5MAPTNPC1 | |
| SCHEMBL15034000 | 0.86 | ALDH1A1 (0.48) | ALDH1A1SRCGRM5MAPTNPC1 | |
| SCHEMBL15033935 | 0.83 | GRM5 (0.43) | ALDH1A1SRCGRM5MAPTCA1 | |
| SCHEMBL15046477 | 0.81 | GRM5 (0.43) | ALDH1A1SRCGRM5MAPTCA1 | |
| SCHEMBL15034561 | 0.79 | GRM5 (0.67) | GRM5KDM4ELMNA | |
| SCHEMBL15046451 | 0.78 | MEN1 (0.53) | ALDH1A1MAPTNPC1RAB9AKDM4E | |
| SCHEMBL15034558 | 0.78 | GRM5 (0.68) | ALDH1A1GRM5KDM4EMEN1KMT2A | |
| SCHEMBL15034565 | 0.78 | GRM5 (0.68) | GRM5 | |
| SCHEMBL15033972 | 0.78 | GRM5 (0.62) | ALDH1A1SRCGRM5MAPTNPC1 |
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 |