Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 10/20 | 0.41 |
| ▸ | MAOA | P21397 | 10/20 | 0.41 |
| ▸ | MAOB | P27338 | 10/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8720460 | 0.94 | KDM1A (0.42) | KDM1AMAOAMAOBTRPA1SLC6A9 | |
| SCHEMBL31143852 | 0.75 | KDM1A (0.43) | KDM1AMAOAMAOB | |
| SCHEMBL8720593 | 0.75 | HTR2C (0.42) | KDM1A | |
| SCHEMBL19137905 | 0.73 | SLC6A9 (0.40) | SLC6A9 | |
| SCHEMBL8323357 | 0.73 | TSHR (0.45) | KDM1AMAOAMAOBTRPA1 | |
| SCHEMBL9295240 | 0.72 | KDM1A (0.44) | KDM1AMAOAMAOB | |
| SCHEMBL1582704 | 0.72 | KDM1A (0.41) | KDM1AMAOAMAOBSLC6A9 | |
| SCHEMBL1583026 | 0.72 | KDM1A (0.41) | KDM1AMAOAMAOBSLC6A9 | |
| SCHEMBL11499118 | 0.72 | KDM1A (0.43) | KDM1AMAOAMAOBSLC6A9 | |
| SCHEMBL9508537 | 0.72 | TSHR (0.41) | KDM1AMAOAMAOBTRPA1SLC6A9 |
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-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 |