Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.84 |
| ▸ | GRIN2A | Q12879 | 7/20 | 0.84 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.84 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.84 |
| ▸ | PRCP | P42785 | 2/20 | 0.84 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.84 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.84 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.84 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.84 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.84 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.84 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.84 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.84 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.84 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.81 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.81 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28282384 | 0.98 | GRIN1 (0.88) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| SCHEMBL30364176 | 0.95 | SIGMAR1 (0.77) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| Phencyclidine SCHEMBL17008793 | 0.91 | SIGMAR1 (1.00) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| Phencyclidine SCHEMBL42022 | 0.91 | SIGMAR1 (1.00) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| SCHEMBL9153279 | 0.91 | SIGMAR1 (1.00) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| Rolicyclidine SCHEMBL517928 | 0.91 | SIGMAR1 (1.00) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| SCHEMBL9461363 | 0.91 | GRIN1 (0.69) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| Phencyclidine SCHEMBL21777 | 0.90 | OPRM1 (1.00) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| Phencyclidine SCHEMBL5166553 | 0.90 | SIGMAR1 (0.96) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP | |
| Phencyclidine SCHEMBL9431514 | 0.88 | SIGMAR1 (0.92) | GRIN1GRIN2ASIGMAR1GRIN2BPRCP |
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 |
|---|---|---|---|---|---|---|---|
| CN-106661017-B | Bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2019-09-24 | — | — | CN | disclosed |
| WO-2017201468-A1 | BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2017-11-23 | — | — | WO | disclosed |