Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11243420 | 0.92 | HTR1A (0.69) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL11224419 | 0.91 | HTR1A (0.68) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7284816 | 0.89 | HTR1A (0.55) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10413001 | 0.89 | MAOB (0.52) | HTR1A | |
| SCHEMBL10414161 | 0.88 | DRD2 (0.47) | HTR1ASIGMAR1 | |
| SCHEMBL10652767 | 0.87 | DRD2 (0.48) | SIGMAR1 | |
| SCHEMBL11242128 | 0.87 | SIGMAR1 (0.51) | HTR1ASIGMAR1 | |
| SCHEMBL10412473 | 0.85 | KCNH2 (0.46) | HTR1ASIGMAR1 | |
| SCHEMBL11357559 | 0.85 | DRD2 (0.54) | HTR1ASIGMAR1 | |
| SCHEMBL6991477 | 0.84 | DRD2 (0.71) | HTR1AADRA1DSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |
| EP-0007399-A1 | Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture | MERCK PATENT GmbH (DE) | 1980-02-06 | — | — | EP | disclosed |