Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.68 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CCR4 | P51679 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 SCHEMBL8552504 | 0.98 | HTR2A (0.66) | HTR2AACHECCR3BCHEBACE1 | |
| SCHEMBL20069159 | 0.86 | HTR2A (0.50) | HTR2AACHERECQLSMN1; SMN2POLB | |
| SCHEMBL6219375 | 0.83 | HTR2A (0.71) | HTR2AACHECCR3BCHEBACE1 | |
| SCHEMBL18460809 | 0.82 | HTR2A (0.47) | HTR2APOLBNPC1HTR2CKCNH2 | |
| SCHEMBL20206024 | 0.82 | HTR2A (0.45) | HTR2ASMN1; SMN2POLBNPC1HTR2C | |
| SCHEMBL27773273 | 0.82 | HTR2A (0.69) | HTR2AACHECCR3BCHEBACE1 | |
| SCHEMBL8554037 | 0.79 | CCR3 (0.61) | HTR2AACHECCR3BCHESIGMAR1 | |
| SCHEMBL21234184 | 0.79 | HPGD (0.51) | SMN1; SMN2TSHRKMT2A | |
| SCHEMBL20069160 | 0.78 | HRH3 (0.46) | HTR2APOLBNPC1HTR2CKCNH2 | |
| Hydrochloric Acid SCHEMBL8552524 | 0.78 | CCR3 (0.59) | HTR2AACHECCR3BCHEPOLB |
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-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 |