Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10414161 | 0.93 | DRD2 (0.47) | HTR1AKCNH2SLC6A4HTR7 | |
| SCHEMBL10414152 | 0.92 | HTR1A (0.52) | HTR1AKCNH2ADRA2AADRA2BADRA2C | |
| SCHEMBL10413252 | 0.90 | KCNH2 (0.52) | HTR1AKCNH2ADRA2AADRA2BADRA2C | |
| SCHEMBL10413763 | 0.88 | HTR1A (0.49) | HTR1AKCNH2ADRA2AADRA2BADRA2C | |
| SCHEMBL11243420 | 0.88 | HTR1A (0.69) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL11224419 | 0.87 | HTR1A (0.68) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9828847 | 0.86 | HTR1A (0.54) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10413270 | 0.86 | DRD2 (0.45) | HTR1AKCNH2SLC6A4HTR7 | |
| SCHEMBL10647445 | 0.85 | HTR1A (0.52) | HTR1ASLC6A4 | |
| SCHEMBL10413587 | 0.84 | HTR1A (0.54) | HTR1AKCNH2ADRA2AADRA2BADRA2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0241654-B1 | HYDROXYINDOLE ESTERS | MERCK PATENT GmbH (DE) | 1991-04-17 | — | — | EP | claimed |
| EP-0241654-A1 | Hydroxyindole esters | MERCK PATENT GmbH (DE) | 1987-10-21 | — | — | EP | claimed |
| US-4916143-A | Hydroxyindole esters | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-10 | — | — | US | disclosed |