Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28280807 | 0.87 | — | — | |
| SCHEMBL5500682 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNAUSP2ALOX12HPGD | |
| SCHEMBL11434847 | 0.80 | ALDH1A1 (0.40) | ALDH1A1LMNAUSP2ALOX12HPGD | |
| SCHEMBL23158189 | 0.79 | CYP1A2 (0.56) | ALDH1A1LMNAHPGDMEN1KMT2A | |
| SCHEMBL19265661 | 0.77 | ALDH1A1 (0.36) | ALDH1A1LMNAUSP2ALOX12HPGD | |
| SCHEMBL11284764 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDMMP1MMP2 | |
| SCHEMBL3999543 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDMMP1MMP2 | |
| SCHEMBL8024247 | 0.76 | ALDH1A1 (0.61) | ALDH1A1LMNAHPGDMMP1MMP2 | |
| SCHEMBL4840666 | 0.76 | ALDH1A1 (0.61) | ALDH1A1LMNAHPGDMMP1MMP2 | |
| SCHEMBL4261207 | 0.76 | ALDH1A1 (0.61) | ALDH1A1LMNAHPGDMMP1MMP2 |
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-3287441-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |