Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | MASP2 | O00187 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL517885 | 0.83 | SMYD3 (0.43) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| SCHEMBL5261942 | 0.83 | NPC1 (0.42) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| SCHEMBL7419730 | 0.83 | MTNR1A (0.43) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| SCHEMBL31634875 | 0.83 | SMYD3 (0.43) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| Hydrochloric Acid SCHEMBL16353531 | 0.81 | MTNR1A (0.43) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| SCHEMBL16618729 | 0.80 | MTNR1A (0.39) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| SCHEMBL17163829 | 0.79 | MTNR1A (0.41) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| Carbamic Acid SCHEMBL1271067 | 0.76 | SMYD3 (0.44) | MTNR1ASMYD3MAPTGAACA1 | |
| SCHEMBL7823822 | 0.75 | ESR1 (0.44) | MTNR1ASMYD3NPC1MAPK13MAPK12 | |
| SCHEMBL16058062 | 0.75 | HTR6 (0.37) | MTNR1ASMYD3NPC1MAPK13MAPK12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997005160-A1 | BICYCLIC LACTAM DERIVATIVES AS THROMBIN INHIBITORS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1997-02-13 | — | — | WO | disclosed |