Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 7/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14857043 | 0.75 | DGKZ (0.41) | CYP19A1SMN1; SMN2TSHR | |
| SCHEMBL24783562 | 0.71 | PRMT5 (0.32) | LMNATP53 | |
| SCHEMBL25124488 | 0.71 | HCRTR1 (0.35) | — | |
| SCHEMBL25124541 | 0.71 | HCRTR1 (0.35) | — | |
| SCHEMBL28024574 | 0.69 | COMT (0.53) | ALDH1A1CYP19A1MAPTSMN1; SMN2TACR1 | |
| SCHEMBL20804350 | 0.69 | COMT (0.53) | ALDH1A1CYP19A1MAPTSMN1; SMN2TACR1 | |
| SCHEMBL15312373 | 0.67 | TLR7 (0.45) | ALDH1A1LMNA | |
| SCHEMBL22425610 | 0.67 | TLR7 (0.43) | ALDH1A1LMNA | |
| SCHEMBL1929059 | 0.67 | JAK2 (0.43) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL15324898 | 0.67 | TLR7 (0.43) | ALDH1A1LMNA |
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-2579717-A2 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | Merck Sharp & Dohme Corp. (US) | 2013-04-17 | — | — | EP | claimed |
| WO-2011156245-A2 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2011-12-15 | — | — | WO | claimed |