Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 8/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.50 |
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 5/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3375560 | 1.00 | MTNR1B (0.50) | MTNR1BMTNR1ABTKHPGDSJAK1 | |
| SCHEMBL3410549 | 0.88 | MTNR1A (0.46) | MTNR1BMTNR1ABTKJAK1PIK3CA | |
| SCHEMBL3410554 | 0.88 | MTNR1A (0.46) | MTNR1BMTNR1ABTKJAK1PIK3CA | |
| SCHEMBL3376049 | 0.88 | MTNR1A (0.46) | MTNR1BMTNR1ABTKJAK1PIK3CA | |
| SCHEMBL3376051 | 0.88 | MTNR1A (0.46) | MTNR1BMTNR1ABTKJAK1PIK3CA | |
| SCHEMBL3373040 | 0.84 | MTNR1B (0.42) | MTNR1BMTNR1ABTKHPGDSJAK1 | |
| SCHEMBL3373045 | 0.84 | MTNR1B (0.42) | MTNR1BMTNR1ABTKHPGDSJAK1 | |
| SCHEMBL4777737 | 0.81 | MTNR1B (0.43) | MTNR1BMTNR1ABTKHPGDSJAK1 | |
| SCHEMBL3375899 | 0.80 | MTNR1B (0.52) | MTNR1BMTNR1A | |
| SCHEMBL3375900 | 0.80 | MTNR1B (0.52) | MTNR1BMTNR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987040-B1 | ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-11-10 | — | — | EP | disclosed |
| EP-1987040-A1 | ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093963-A1 | ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-23 | — | — | WO | disclosed |