Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2416547 | 0.87 | HTR6 (0.35) | HTR6ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL4412054 | 0.87 | MET (0.40) | METHDAC1HTR6CYP3A4NFE2L2 | |
| SCHEMBL2411499 | 0.83 | ADAM17 (0.35) | HDAC1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL2415052 | 0.77 | MEP1B (0.43) | METHDAC1MEP1BHTR6CYP3A4 | |
| SCHEMBL4418740 | 0.72 | MET (0.41) | METHDAC1HTR6HDAC2HDAC8 | |
| SCHEMBL28715560 | 0.71 | HTR6 (0.49) | METMEP1BHTR6CYP3A4KEAP1 | |
| SCHEMBL4424529 | 0.71 | HTR6 (0.44) | METHTR6CYP3A4ALDH1A1LMNA | |
| SCHEMBL4424525 | 0.71 | MET (0.44) | METHDAC1HTR6CYP3A4HDAC2 | |
| SCHEMBL4419026 | 0.70 | MET (0.40) | METHDAC1HTR6HDAC2HDAC8 | |
| SCHEMBL2409947 | 0.70 | HTR6 (0.35) | METHTR6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2364979-A1 | Pyrrole compounds | Takeda Pharmaceutical Company Limited (JP) | 2011-09-14 | — | — | EP | disclosed |