Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17533941 | 0.81 | APP (0.47) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3680020 | 0.73 | SIGMAR1 (0.38) | SIGMAR1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL20199302 | 0.72 | PDK2 (0.46) | CYP2A6MGLL | |
| SCHEMBL21880270 | 0.71 | PDK2 (0.41) | TSHR | |
| SCHEMBL23878715 | 0.70 | SIGMAR1 (0.60) | SIGMAR1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3673477 | 0.70 | SIGMAR1 (0.44) | SIGMAR1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL20174704 | 0.68 | PDK2 (0.45) | CYP2A6MGLL | |
| SCHEMBL7315923 | 0.68 | PDK2 (0.38) | KMT2ANPSR1 | |
| SCHEMBL7310523 | 0.68 | PDK2 (0.38) | — | |
| SCHEMBL7316770 | 0.67 | PDK2 (0.43) | SIGMAR1CHRM2CHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009117-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELLIX NEUROSCIENCE INC. (US) | 2001-02-08 | — | — | WO | disclosed |
| US-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |