Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.56 |
| ▸ | FAAH | O00519 | 1/20 | 0.55 |
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 SCHEMBL8553721 | 0.99 | SIGMAR1 (0.58) | SIGMAR1CHRM2CHRM3ACHECYP2D6 | |
| SCHEMBL8552933 | 0.95 | SIGMAR1 (0.60) | SIGMAR1CHRM2CHRM3ACHEBCHE | |
| Hydrochloric Acid SCHEMBL8554807 | 0.94 | MEN1 (0.59) | SIGMAR1CHRM2CHRM3ACHEBCHE | |
| SCHEMBL8550490 | 0.88 | BCHE (0.65) | CHRM2CHRM3ACHEBCHE | |
| SCHEMBL8550662 | 0.88 | SCN1A (0.63) | BCHE | |
| Hydrochloric Acid SCHEMBL8556315 | 0.87 | MEN1 (0.65) | CHRM2CHRM3ACHEBCHE | |
| SCHEMBL8553497 | 0.87 | OPRK1 (0.62) | SIGMAR1ACHESMN1; SMN2MCHR1 | |
| Hydrochloric Acid SCHEMBL8549692 | 0.86 | SCN1A (0.61) | BCHE | |
| Hydrochloric Acid SCHEMBL8553648 | 0.86 | OPRK1 (0.61) | SIGMAR1ACHESMN1; SMN2MCHR1 | |
| SCHEMBL8552599 | 0.86 | SIGMAR1 (0.64) | SIGMAR1ACHEBCHEMCHR1 |
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 4 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 |
| EP-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | 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 |