Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.32 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.32 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 2/20 | 0.31 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8720792 | 1.00 | TACR1 (0.43) | TACR1KCNQ3KCNQ2KCNQ4KCNMA1 | |
| SCHEMBL8202155 | 0.88 | TACR1 (0.43) | TACR1KCNQ3KCNQ2KCNQ4KCNMA1 | |
| SCHEMBL8201838 | 0.86 | SIGMAR1 (0.39) | TACR1 | |
| SCHEMBL8717852 | 0.79 | TACR1 (0.46) | TACR1DDB1CRBNRAF1BRAF | |
| SCHEMBL8193781 | 0.79 | SLC6A9 (0.36) | — | |
| SCHEMBL8718133 | 0.74 | TACR1 (0.38) | TACR1 | |
| SCHEMBL8201993 | 0.73 | TACR1 (0.34) | TACR1 | |
| SCHEMBL8202011 | 0.71 | TACR1 (0.36) | TACR1 | |
| SCHEMBL8201272 | 0.70 | TACR1 (0.36) | TACR1 | |
| SCHEMBL8709737 | 0.67 | TACR1 (0.35) | TACR1 |
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 |