Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 2/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8201822 | 0.90 | CHRM4 (0.37) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8193764 | 0.88 | GRIN2B (0.36) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8202980 | 0.87 | DRD2 (0.38) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8194333 | 0.85 | GRIN2D (0.37) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8201945 | 0.85 | DRD2 (0.40) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8206356 | 0.84 | DRD2 (0.38) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8718133 | 0.83 | TACR1 (0.38) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8204411 | 0.83 | TACR1 (0.38) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8202751 | 0.79 | KDM4E (0.34) | TACR1 | |
| SCHEMBL8201999 | 0.77 | GRIN2D (0.36) | GRIN2DGRIN3BDRD2GRIN1GRIN2A |
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-6080740-A | Spiro-ketal derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-27 | — | — | US | claimed |
| US-6080740-A | Spiro-ketal derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-27 | — | — | US | disclosed |
| EP-0880529-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030056-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-08-21 | — | — | WO | disclosed |