Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16200388 | 0.80 | THRB (0.45) | ALDH1A1GFERNPSR1RXFP1THRB | |
| SCHEMBL16200246 | 0.79 | ALDH1A1 (0.39) | ALDH1A1PDE10ACYP11B2BRD4DHODH | |
| SCHEMBL13683013 | 0.75 | THRB (0.42) | ALDH1A1GFERNPSR1RXFP1THRB | |
| SCHEMBL13430363 | 0.73 | KDM4E (0.45) | ALDH1A1NPSR1THRBPDE10AGAA | |
| SCHEMBL13184428 | 0.71 | SLC34A1 (0.53) | ALDH1A1GFERNPSR1RXFP1THRB | |
| SCHEMBL16200197 | 0.71 | CYP11B2 (0.38) | CYP11B2DHODHMAPT | |
| SCHEMBL16200063 | 0.69 | ALDH1A1 (0.48) | ALDH1A1THRBCYP11B2 | |
| SCHEMBL16200060 | 0.68 | THRB (0.52) | ALDH1A1NPSR1THRBGAAHPGD | |
| SCHEMBL8206566 | 0.68 | DHODH (0.41) | ALDH1A1PDE10ACYP11B2DHODHPDE2A | |
| SCHEMBL16200055 | 0.67 | MAPK14 (0.43) | ALDH1A1GFERNPSR1RXFP1THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |