Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.60 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL8556970 | 0.97 | ADRA1D (0.60) | HTR1ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8554847 | 0.94 | CYP1A2 (0.65) | HTR1ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8558927 | 0.93 | ADRA1D (0.63) | HTR1ACYP1A2CYP3A4CYP2C9ADRA1D | |
| SCHEMBL8559641 | 0.90 | CYP1A2 (0.63) | HTR1ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8559023 | 0.90 | CYP1A2 (0.60) | HTR1ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8554922 | 0.89 | ADRA1D (0.73) | HTR1AADRA1DSLC6A4 | |
| SCHEMBL7533736 | 0.87 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL8556391 | 0.86 | ADRA1D (0.74) | HTR1AADRA1DSLC6A4 | |
| SCHEMBL8558241 | 0.85 | HTR1A (0.69) | HTR1ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8558005 | 0.85 | HTR1A (0.77) | HTR1ASLC6A4 |
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 |