Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL8193764 | 0.81 | GRIN2B (0.36) | TACR1ATMOPRL1 | |
| SCHEMBL8202751 | 0.79 | KDM4E (0.34) | TACR1ATM | |
| SCHEMBL8720791 | 0.73 | OPRM1 (0.32) | TACR1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL8202470 | 0.70 | TACR1 (0.38) | TACR1 | |
| SCHEMBL8194339 | 0.70 | GRIN2D (0.36) | TACR1 | |
| SCHEMBL8206356 | 0.69 | DRD2 (0.38) | HTTATMOPRL1 | |
| SCHEMBL8194333 | 0.67 | GRIN2D (0.37) | HTTOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL8201945 | 0.66 | DRD2 (0.40) | HTTATMOPRM1OPRD1OPRK1 | |
| SCHEMBL8193781 | 0.57 | SLC6A9 (0.36) | — | |
| SCHEMBL27869236 | 0.55 | TRPV6 (0.43) | OPRM1OPRD1OPRK1OPRL1 |
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 |