Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.62 |
| ▸ | TOP2A | P11388 | 4/20 | 0.62 |
| ▸ | HRH1 | P35367 | 4/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.47 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8477391 | 0.81 | HSP90AB1 (0.62) | HSP90AB1TOP2AMRGPRX1HSD17B10 | |
| SCHEMBL5214498 | 0.80 | BRD4 (0.53) | CHRM3MRGPRX1BRD4HSD17B10 | |
| Hydrochloric Acid SCHEMBL8479612 | 0.79 | HSP90AB1 (0.60) | HSP90AB1TOP2A | |
| Hydrochloric Acid SCHEMBL1474917 | 0.79 | BRD4 (0.52) | CHRM3MRGPRX1BRD4HSD17B10 | |
| SCHEMBL22173962 | 0.77 | POLB (0.47) | BRD4 | |
| Hydrochloric Acid SCHEMBL71793 | 0.77 | HRH1 (0.53) | HSP90AB1TOP2AHRH1KCNH2SCN5A | |
| SCHEMBL9014136 | 0.76 | HSP90AB1 (0.47) | HSP90AB1TOP2AHRH1CHRM3HTR1A | |
| SCHEMBL16296005 | 0.75 | DDB1 (0.55) | HSP90AB1TOP2AHRH1KCNH2SCN5A | |
| SCHEMBL25389838 | 0.75 | MRGPRX1 (0.50) | HSP90AB1TOP2AMRGPRX1 | |
| SCHEMBL940345 | 0.75 | ALDH1A1 (0.51) | HRH1KCNH2HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0635505-B1 | 4-Aryloxy- and 4-arylthiopiperidine derivatives | MERCK PATENT GMBH (DE) | 1997-10-15 | — | — | EP | disclosed |
| US-5561145-A | 4-aryloxy- and 4-arylthiopiperidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) | 1996-10-01 | — | — | US | disclosed |
| EP-0635505-A1 | 4-Aryloxy- and 4-arylthiopiperidine derivatives | MERCK PATENT GmbH (DE) | 1995-01-25 | — | — | EP | disclosed |