Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | CDK9 | P50750 | 4/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8217093 | 1.00 | HTR2A (0.43) | HTR2AHTR2CKCNH2DRD2CDK9 | |
| SCHEMBL8220259 | 0.93 | HTR2A (0.44) | HTR2AHTR2CKCNH2CDK9CCNT1 | |
| SCHEMBL8220256 | 0.93 | HTR2A (0.44) | HTR2AHTR2CKCNH2CDK9CCNT1 | |
| SCHEMBL8210776 | 0.90 | MAPK13 (0.41) | HTR2AHTR2CKCNH2CDK9CCNT1 | |
| SCHEMBL8210778 | 0.90 | MAPK13 (0.41) | HTR2AHTR2CKCNH2CDK9CCNT1 | |
| SCHEMBL8210789 | 0.89 | MAPK14 (0.48) | HTR2AHTR2CKCNH2CDK9CCNT1 | |
| SCHEMBL8210793 | 0.89 | MAPK14 (0.48) | HTR2AHTR2CKCNH2CDK9CCNT1 | |
| SCHEMBL8208561 | 0.79 | ESR1 (0.50) | HTR2AHTR2CKCNH2 | |
| SCHEMBL8268157 | 0.78 | HTR2A (0.43) | HTR2AHTR2CKCNH2DRD2MAPK13 | |
| SCHEMBL6993886 | 0.77 | CHRNB2 (0.55) | CDK9CCNT1 |
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 |