Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8210793 | 0.90 | MAPK14 (0.48) | ESR1ESR2HTR2AKCNH2CHRNB2 | |
| SCHEMBL8210789 | 0.90 | MAPK14 (0.48) | ESR1ESR2HTR2AKCNH2CHRNB2 | |
| SCHEMBL8220256 | 0.87 | HTR2A (0.44) | HTR2AKCNH2CHRNB2CHRNA4HTR2C | |
| SCHEMBL8220259 | 0.87 | HTR2A (0.44) | HTR2AKCNH2CHRNB2CHRNA4HTR2C | |
| SCHEMBL8218909 | 0.82 | PDE10A (0.45) | HTR2ACHRNB2CHRNA4HTR2CHTR6 | |
| SCHEMBL8217090 | 0.79 | HTR2A (0.43) | HTR2AKCNH2HTR2C | |
| SCHEMBL8217093 | 0.79 | HTR2A (0.43) | HTR2AKCNH2HTR2C | |
| SCHEMBL8210776 | 0.79 | MAPK13 (0.41) | HTR2AKCNH2CHRNB2CHRNA4HTR2C | |
| SCHEMBL8210778 | 0.79 | MAPK13 (0.41) | HTR2AKCNH2CHRNB2CHRNA4HTR2C | |
| SCHEMBL2881954 | 0.78 | CHRNB2 (0.67) | CHRNB2CHRNA4SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000004017-A1 | AZABICYCLE-SUBSTITUTED PHENYLINDOLE DERIVATIVES AS LIGANDS FOR 5-HT2A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-01-27 | — | — | WO | claimed |
| WO-2000004017-A1 | AZABICYCLE-SUBSTITUTED PHENYLINDOLE DERIVATIVES AS LIGANDS FOR 5-HT2A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-01-27 | — | — | WO | disclosed |