Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | FAAH | O00519 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | MTOR | P42345 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.57 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 5/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.56 |
| ▸ | HRH1 | P35367 | 5/20 | 0.56 |
| ▸ | DRD3 | P35462 | 5/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28876807 | 0.89 | CYP3A4 (0.64) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL10362364 | 0.83 | HTR2A (0.61) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL10334811 | 0.83 | SCN5A (0.58) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL16227246 | 0.82 | ACHE (0.68) | HTR2AADRA1ADRD3OPRD1ADRA1D | |
| SCHEMBL14244177 | 0.82 | CYP3A4 (0.56) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7789674 | 0.82 | CYP19A1 (0.46) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7634586 | 0.81 | SCN5A (0.59) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL14288444 | 0.80 | TBXA2R (0.46) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7295696 | 0.80 | SCN5A (0.58) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL11338768 | 0.80 | SIGMAR1 (0.58) | CYP3A4CYP2D6FAAHTSHRALOX12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0250361-B1 | Disubstituted piperazines | CIBA GEIGY AG (CH) | 1993-12-08 | — | — | EP | disclosed |