Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 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 | |
|---|---|---|---|---|
| SCHEMBL1162705 | 0.79 | ENPP2 (0.42) | ALDH1A1SIGMAR1ENPP2CHRM5CHRM2 | |
| SCHEMBL26664150 | 0.76 | ALDH1A1 (0.49) | ALDH1A1SIGMAR1ENPP2CHRM5CHRM2 | |
| SCHEMBL31717656 | 0.76 | SIGMAR1 (0.49) | ALDH1A1SIGMAR1ENPP2CHRM5CHRM2 | |
| SCHEMBL1761146 | 0.75 | CCR6 (0.44) | ALDH1A1SIGMAR1ENPP2CHRM5CHRM2 | |
| SCHEMBL3623381 | 0.73 | FABP7 (0.49) | ALDH1A1 | |
| SCHEMBL1162738 | 0.73 | SIGMAR1 (0.42) | ALDH1A1SIGMAR1CHRM5CHRM2CHRM1 | |
| SCHEMBL15751249 | 0.72 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1ENPP2CHRM5CHRM2 | |
| SCHEMBL1761228 | 0.71 | CCR6 (0.41) | ALDH1A1SIGMAR1ENPP2CHRM5CHRM2 | |
| SCHEMBL28014872 | 0.71 | ITGB3 (0.41) | SIGMAR1ENPP2CHRM5CHRM2CHRM1 | |
| SCHEMBL15106080 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HTR2C |
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-2011016576-A1 | ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-10 | — | — | WO | disclosed |