Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CFTR | P13569 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2552339 | 0.94 | ALDH1A1 (0.46) | ALDH1A1KCNH2LMNAHTTMAPT | |
| SCHEMBL5234381 | 0.82 | KCNH2 (0.46) | ALDH1A1KCNH2LMNAHTTKDM4E | |
| SCHEMBL4928593 | 0.81 | KCNH2 (0.53) | ALDH1A1KCNH2LMNAHTTCFTR | |
| SCHEMBL1461158 | 0.79 | KCNH2 (0.56) | ALDH1A1KCNH2HTT | |
| SCHEMBL9440072 | 0.79 | KCNH2 (0.56) | ALDH1A1KCNH2HTT | |
| SCHEMBL11338813 | 0.79 | KCNH2 (0.56) | ALDH1A1KCNH2HTT | |
| SCHEMBL1462481 | 0.79 | KCNH2 (0.56) | ALDH1A1KCNH2HTT | |
| SCHEMBL29192036 | 0.79 | KCNH2 (0.56) | ALDH1A1KCNH2HTT | |
| SCHEMBL29457179 | 0.77 | — | — | |
| SCHEMBL696060 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009095712-A2 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2009-08-06 | — | — | WO | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |
| WO-2008132502-A1 | PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-11-06 | — | — | WO | disclosed |