Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 10/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 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 | |
|---|---|---|---|---|
| SCHEMBL9902057 | 0.87 | GRM5 (0.41) | GRM5 | |
| SCHEMBL9900971 | 0.83 | GRM5 (0.45) | GRM5HPGDMEN1KMT2AHTT | |
| SCHEMBL1313264 | 0.76 | CA1 (0.43) | HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL26645519 | 0.72 | MEN1 (0.30) | MEN1KMT2AHTT | |
| SCHEMBL9900973 | 0.71 | GRM5 (0.41) | GRM5 | |
| SCHEMBL9900560 | 0.71 | ADORA3 (0.41) | GRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9900342 | 0.70 | GRM5 (0.40) | GRM5 | |
| SCHEMBL16404608 | 0.68 | KDM4E (0.50) | GRM5HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9937521 | 0.68 | GRM5 (0.46) | GRM5CYP1A2 | |
| SCHEMBL9941534 | 0.68 | GRM5 (0.41) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648723-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078817-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-14 | — | — | WO | disclosed |