Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | HPD | P32754 | 1/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | UBE2M | P61081 | 1/20 | 0.46 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 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 SCHEMBL8554803 | 0.99 | MAPK1 (0.60) | MAPK1NPSR1SIGMAR1HPDSERPINE1 | |
| SCHEMBL8550623 | 0.85 | BCHE (0.48) | MAPK1SIGMAR1FAAHACHEBCHE | |
| SCHEMBL8553874 | 0.85 | BCHE (0.48) | MAPK1NPSR1SIGMAR1FAAHACHE | |
| SCHEMBL8552219 | 0.85 | SIGMAR1 (0.55) | MAPK1SIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL8551753 | 0.84 | BCHE (0.47) | MAPK1SIGMAR1FAAHACHEBCHE | |
| Hydrochloric Acid SCHEMBL8551803 | 0.84 | BCHE (0.47) | MAPK1NPSR1SIGMAR1FAAHACHE | |
| SCHEMBL8555277 | 0.84 | SIGMAR1 (0.51) | SIGMAR1ACHEBCHEUBE2MDCUN1D1 | |
| Hydrochloric Acid SCHEMBL8555949 | 0.84 | SIGMAR1 (0.54) | MAPK1SIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL8681759 | 0.83 | SIGMAR1 (0.50) | SIGMAR1ACHEBCHEUBE2MDCUN1D1 | |
| SCHEMBL8551176 | 0.77 | PGR (0.54) | MAPK1SIGMAR1ACHEKCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | claimed |
| CN-1084329-C | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2002-05-08 | — | — | CN | disclosed |
| EP-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| CN-1183768-A | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 1998-06-03 | — | — | CN | disclosed |
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |