Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8502899 | 0.83 | TACR1 (0.54) | TACR1TSHR | |
| SCHEMBL8505739 | 0.78 | TACR1 (0.42) | TACR1HTR2CDRD2 | |
| SCHEMBL8201838 | 0.75 | SIGMAR1 (0.39) | TACR1TSHRHTR2CCHRM4CHRM1 | |
| SCHEMBL8201944 | 0.75 | TACR1 (0.38) | TACR1TSHRHTR2C | |
| SCHEMBL8202750 | 0.69 | SLC6A9 (0.32) | TACR1 | |
| SCHEMBL8201159 | 0.68 | TACR1 (0.35) | TACR1 | |
| SCHEMBL28576009 | 0.67 | HTR2C (0.58) | TACR1HTR2CDRD2ADRA1DADRA1A | |
| SCHEMBL8201272 | 0.67 | TACR1 (0.36) | TACR1 | |
| SCHEMBL8201255 | 0.67 | TACR1 (0.32) | TACR1 | |
| SCHEMBL8201993 | 0.67 | TACR1 (0.34) | TACR1DRD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799231-B1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 1999-03-17 | — | — | EP | claimed |