Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL693749 | 1.00 | TSHR (0.41) | TSHRMAPTBRD4TP53SMN1; SMN2 | |
| SCHEMBL24150486 | 0.86 | MMP2 (0.44) | TSHRMAPTBRD4TP53SMN1; SMN2 | |
| SCHEMBL22123174 | 0.86 | MMP2 (0.44) | TSHRMAPTBRD4TP53SMN1; SMN2 | |
| SCHEMBL29155483 | 0.86 | MMP2 (0.44) | TSHRMAPTBRD4TP53SMN1; SMN2 | |
| SCHEMBL22491977 | 0.84 | TSHR (0.42) | TSHRMAPTBRD4TP53SMN1; SMN2 | |
| SCHEMBL30546726 | 0.83 | MAPT (0.43) | TSHRMAPTBRD4TP53SMN1; SMN2 | |
| SCHEMBL4135838 | 0.81 | MAPT (0.47) | TSHRMAPTSMN1; SMN2GAAALDH1A1 | |
| SCHEMBL28087182 | 0.81 | MAPT (0.47) | TSHRMAPTSMN1; SMN2GAAALDH1A1 | |
| SCHEMBL28087184 | 0.81 | MAPT (0.47) | TSHRMAPTSMN1; SMN2GAAALDH1A1 | |
| SCHEMBL19656301 | 0.80 | OPRK1 (0.38) | TSHRMAPTBRD4TP53SMN1; SMN2 |
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-2421370-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010124055-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-28 | — | — | WO | disclosed |