Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4080931 | 0.82 | SIGMAR1 (0.46) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL4079282 | 0.75 | SIGMAR1 (0.45) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL12430144 | 0.75 | SIGMAR1 (0.45) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL10916515 | 0.73 | SIGMAR1 (0.46) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL8315434 | 0.72 | ACHE (0.71) | SIGMAR1ACHEBCHEBACE1ALDH1A1 | |
| SCHEMBL9184783 | 0.71 | ACHE (0.59) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL3780157 | 0.71 | ACHE (0.59) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL3789159 | 0.71 | ACHE (0.59) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL1848011 | 0.71 | ACHE (0.59) | SIGMAR1ACHEBCHEBACE1CYP1A2 | |
| SCHEMBL6182247 | 0.70 | HRH3 (0.59) | SIGMAR1ACHEBCHEBACE1CYP1A2 |
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-1796663-B1 | TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS | ATHERSYS INC (US) | 2011-05-04 | — | — | EP | disclosed |