Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 10/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | HTR7 | P34969 | 3/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8863522 | 0.93 | ACHE (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8787429 | 0.89 | DRD2 (0.47) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8789177 | 0.89 | ACHE (0.42) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL8787530 | 0.89 | DRD2 (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8787639 | 0.88 | ACHE (0.41) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL7773189 | 0.88 | DRD2 (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL9096725 | 0.88 | ACHE (0.44) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8787558 | 0.84 | DRD2 (0.49) | DRD2HTR2AHTR1AKCNH2 | |
| SCHEMBL8788723 | 0.84 | DRD2 (0.49) | DRD2SLC6A4HTR2AHTR1AHTR7 | |
| SCHEMBL8789443 | 0.84 | ACHE (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A |
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-0612318-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993009102-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1993-05-13 | — | — | WO | disclosed |