Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TXN | P10599 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2590119 | 0.76 | CHRM2 (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12836222 | 0.74 | OPRM1 (0.41) | NPC1RAB9AHPGDMAPK1KDM4E | |
| SCHEMBL12178707 | 0.72 | SMN1; SMN2 (0.32) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4908372 | 0.72 | CASR (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12178754 | 0.71 | OPRL1 (0.34) | — | |
| SCHEMBL12179327 | 0.71 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL29690713 | 0.70 | CASR (0.49) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12836645 | 0.69 | OPRM1 (0.36) | DRD2DRD3DRD4 | |
| SCHEMBL14947623 | 0.69 | SLC6A4 (0.45) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12178866 | 0.68 | OPRM1 (0.42) | — |
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-2011135276-A1 | 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1] OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL] METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 | THE UNIVERSITY OF EDINBURGH (GB) | 2011-11-03 | — | — | WO | disclosed |