Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907338 | 0.91 | HTR2C (0.52) | TACR1HTR2CDRD2MGLLKDM1A | |
| SCHEMBL18899130 | 0.86 | HTR2C (0.54) | TACR1HTR2CDRD2MGLLKDM1A | |
| SCHEMBL8908135 | 0.79 | KDM1A (0.43) | HTR2CDRD2KDM1ARCOR1HTR2A | |
| SCHEMBL8911804 | 0.77 | TACR1 (0.64) | TACR1HTR2CDRD2KDM1ARCOR1 | |
| SCHEMBL21559944 | 0.75 | TRPA1 (0.41) | KDM1ARCOR1TRPA1 | |
| SCHEMBL16457233 | 0.73 | HTR2C (0.72) | HTR2CDRD2HTR2AHTR2B | |
| SCHEMBL2532290 | 0.73 | HTR2C (0.72) | HTR2CDRD2KDM1ARCOR1HTR2A | |
| SCHEMBL30503259 | 0.73 | HTR2C (0.46) | HTR2CDRD2MGLLKDM1ARCOR1 | |
| SCHEMBL29426678 | 0.73 | HTR2C (0.46) | HTR2CDRD2MGLLKDM1ARCOR1 | |
| SCHEMBL30503220 | 0.73 | HTR2C (0.46) | HTR2CDRD2MGLLKDM1ARCOR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799231-A1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-10-08 | — | — | EP | claimed |
| EP-0799231-A1 | SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-10-08 | — | — | EP | disclosed |