Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.76 |
| ▸ | HTT | P42858 | 3/20 | 0.76 |
| ▸ | GAA | P10253 | 2/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.76 |
| ▸ | THRB | P10828 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.59 |
| ▸ | MEN1 | O00255 | 7/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.56 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.56 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2090148 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL4966134 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL29664585 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL3124112 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL4969610 | 0.82 | PDK1 (0.76) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL30116065 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL18549005 | 0.82 | ALDH1A1 (0.67) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL5549288 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL5383005 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HTTGAAL3MBTL1THRB | |
| SCHEMBL2852168 | 0.81 | KMT2A (0.69) | ALDH1A1HTTGAAL3MBTL1THRB |
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-0970084-B1 | PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS | BASF AG (DE) | 2003-06-04 | — | — | EP | disclosed |