Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7380899 | 0.84 | BCHE (0.56) | SIGMAR1KDM4EACHE | |
| SCHEMBL5228400 | 0.80 | ACHE (0.60) | SIGMAR1CXCR4ACHE | |
| SCHEMBL2953321 | 0.79 | ACHE (0.54) | SIGMAR1CXCR4KDM4EACHE | |
| SCHEMBL27691732 | 0.79 | SIGMAR1 (0.48) | SIGMAR1TSHRTRPV6KDM4E | |
| SCHEMBL28639634 | 0.79 | ACHE (0.54) | SIGMAR1CXCR4KDM4EACHE | |
| SCHEMBL18848489 | 0.79 | ACHE (0.54) | SIGMAR1CXCR4KDM4EACHE | |
| SCHEMBL5783247 | 0.78 | CXCR4 (0.46) | CXCR4KDM4ECYP3A4CYP2D6 | |
| SCHEMBL19450643 | 0.78 | ACHE (0.61) | SIGMAR1CXCR4TSHRKDM4EACHE | |
| SCHEMBL1475164 | 0.77 | SIGMAR1 (0.56) | SIGMAR1KDM4E | |
| SCHEMBL28565840 | 0.75 | CYP1A2 (0.43) | SIGMAR1TSHRKDM4ECYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5116846-A | N-ARALKYL PIPERIDINE DERIVATIVES AS PSYCHOTROPIC DRUGS | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0449186-A2 | N-aralkyl piperidine derivatives as psychotropic drugs | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-10-02 | — | — | EP | disclosed |