Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8201159 | 0.85 | TACR1 (0.35) | TACR1 | |
| SCHEMBL8202470 | 0.83 | TACR1 (0.38) | TACR1 | |
| SCHEMBL8201838 | 0.83 | SIGMAR1 (0.39) | TACR1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL30492812 | 0.75 | TSHR (0.36) | TACR1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL8502899 | 0.75 | TACR1 (0.54) | TACR1NPSR1MAPK1RECQL | |
| SCHEMBL8201944 | 0.72 | TACR1 (0.38) | TACR1HTR2A | |
| SCHEMBL8202750 | 0.72 | SLC6A9 (0.32) | TACR1OPRM1 | |
| SCHEMBL8201255 | 0.70 | TACR1 (0.32) | TACR1 | |
| SCHEMBL8201272 | 0.70 | TACR1 (0.36) | TACR1 | |
| SCHEMBL8504925 | 0.69 | TACR1 (0.35) | TACR1DRD2GRIN2B |
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 |