Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8194470 | 0.88 | GRIN2D (0.36) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8201999 | 0.88 | GRIN2D (0.36) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8194344 | 0.87 | DRD2 (0.37) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8194454 | 0.85 | TACR1 (0.38) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8193764 | 0.85 | GRIN2B (0.36) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8201847 | 0.81 | TACR1 (0.38) | DRD2TACR1 | |
| SCHEMBL8194349 | 0.81 | TACR1 (0.37) | TACR1 | |
| SCHEMBL8201405 | 0.78 | GRIN2D (0.38) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8201822 | 0.78 | CHRM4 (0.37) | GRIN2DGRIN3BDRD2GRIN1GRIN2A | |
| SCHEMBL8194339 | 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 |
| EP-0880529-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-12-02 | — | — | EP | claimed |
| WO-1997030056-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-08-21 | — | — | WO | claimed |
| US-6080740-A | Spiro-ketal derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-27 | — | — | US | disclosed |