Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.73 |
| ▸ | DRD2 | P14416 | 6/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | DRD4 | P21917 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | DRD3 | P35462 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553783 | 0.95 | HTR1A (0.81) | HTR1ADRD2SLC6A4ADRA2AADRA2B | |
| SCHEMBL8554084 | 0.89 | HTR1A (0.78) | HTR1ADRD2DRD3HTR2A | |
| SCHEMBL8871051 | 0.88 | HTR1A (0.71) | HTR1ADRD2CYP1A2CYP3A4MAPT | |
| SCHEMBL8555961 | 0.88 | HTR1A (0.68) | HTR1ADRD2TDP1SLC6A4 | |
| SCHEMBL8553977 | 0.87 | HTR1A (0.70) | HTR1ADRD2DRD3SLC6A4HTR2A | |
| SCHEMBL8871306 | 0.83 | HTR1A (0.77) | HTR1ADRD2CYP1A2CYP3A4MAPT | |
| Roxindole SCHEMBL5453647 | 0.82 | TDP1 (0.98) | HTR1ADRD2CYP1A2CYP3A4MAPT | |
| Roxindole SCHEMBL49673 | 0.81 | TDP1 (1.00) | HTR1ADRD2CYP1A2CYP3A4MAPT | |
| Roxindole SCHEMBL5605611 | 0.81 | TDP1 (1.00) | HTR1ADRD2CYP1A2CYP3A4MAPT | |
| SCHEMBL11313868 | 0.81 | HTR1A (0.75) | HTR1ADRD2DRD3SLC6A4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0683166-B1 | 3-Indolylpiperidines | MERCK PATENT GMBH (DE) | 1998-10-28 | — | — | EP | disclosed |
| EP-0683166-A1 | 3-Indolylpiperidines | MERCK PATENT GmbH (DE) | 1995-11-22 | — | — | EP | disclosed |