Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23129205 | 0.83 | ADRB2 (0.30) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL23095908 | 0.82 | PDE2A (0.35) | CES2CES1KDM1AKCNH2KDM1B | |
| SCHEMBL29556268 | 0.80 | KDM1A (0.38) | CES2CES1KDM1AKCNH2KDM1B | |
| SCHEMBL16035329 | 0.80 | KDM1A (0.38) | CES2CES1KDM1AKCNH2KDM1B | |
| SCHEMBL12744995 | 0.78 | KDM1A (0.36) | KDM1AKCNH2KDM1B | |
| SCHEMBL12413927 | 0.76 | GABRA1 (0.38) | KDM1AKCNH2KDM1BADRB2RECQL | |
| SCHEMBL505780 | 0.76 | KDM1A (0.48) | KDM1AKCNH2KDM1BCYP3A4KDM4E | |
| SCHEMBL19192322 | 0.73 | PDE2A (0.44) | KDM1AKCNH2KDM1BIDH1 | |
| SCHEMBL16044371 | 0.73 | PDE2A (0.44) | KDM1AKCNH2KDM1BIDH1 | |
| SCHEMBL19151612 | 0.71 | ADRB2 (0.38) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B |
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-2018039386-A1 | HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS | ARDELYX, INC. (US) | 2018-03-01 | — | — | WO | disclosed |