Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 10/20 | 0.54 |
| ▸ | MAOB | P27338 | 5/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.54 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL15606869 | 0.84 | KDM1A (0.60) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL12295868 | 0.76 | KDM1A (0.68) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL883113 | 0.76 | KDM1A (0.68) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL24658830 | 0.72 | KDM1A (0.62) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL12714992 | 0.72 | KDM1A (0.62) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL17403045 | 0.70 | KDM1A (0.60) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL16019172 | 0.70 | KDM1A (1.00) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL1524305 | 0.70 | KDM1A (1.00) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL24658449 | 0.70 | KDM1A (0.60) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL12875752 | 0.70 | KDM1A (0.60) | KDM1AMAOBKCNH2RCOR1KDM1B |
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-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |