Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 7/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | GPR6 | P46095 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DCK | P27707 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18669574 | 0.91 | GAA (0.37) | GAAACACBNSD2GPR6KDM4E | |
| SCHEMBL18669555 | 0.85 | GAA (0.35) | GAAACACBNSD2GPR6KDM4E | |
| SCHEMBL18669614 | 0.77 | KHK (0.47) | GAAACACBNSD2KDM4EALDH1A1 | |
| SCHEMBL18669540 | 0.76 | ACACB (0.36) | ACACBNSD2GPR6 | |
| SCHEMBL20510904 | 0.76 | AR (0.40) | GPR6KDM4EALDH1A1 | |
| SCHEMBL18669671 | 0.69 | TBK1 (0.34) | ACACB | |
| SCHEMBL6186446 | 0.69 | KHK (0.57) | GAAKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL3622824 | 0.67 | ROCK2 (0.46) | GAANSD2KDM4EALDH1A1HPGD | |
| SCHEMBL18669615 | 0.67 | GRM1 (0.37) | ACACBPIK3CA | |
| SCHEMBL1937799 | 0.66 | ROCK2 (0.63) | GAANSD2KDM4EALDH1A1HPGD |
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-3353155-A1 | PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP | AbbVie Deutschland GmbH & Co. KG (DE) | 2018-08-01 | — | — | EP | disclosed |
| WO-2017050807-A1 | PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-03-30 | — | — | WO | disclosed |