Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29139810 | 0.89 | FGFR1 (0.47) | ALDH1A1PDE10AHTTKDM4ERAB9A | |
| Phenol SCHEMBL28142595 | 0.82 | FGFR1 (0.49) | PDE10AHTTFGFR1ADORA2AEGFR | |
| Quinoline SCHEMBL15153044 | 0.76 | HTT (0.74) | ALDH1A1HTTKDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL4978113 | 0.75 | XDH (0.48) | ALDH1A1HTTKDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL1858815 | 0.73 | HTT (0.58) | PDE10AHTTFGFR1 | |
| SCHEMBL30219641 | 0.73 | DHFR (0.49) | ALDH1A1HTTEGFRPI4KAPI4K2B | |
| SCHEMBL28301793 | 0.73 | DHFR (0.49) | ALDH1A1HTTEGFRPI4KAPI4K2B | |
| Quinoline SCHEMBL27889398 | 0.72 | ALDH1A1 (0.53) | ALDH1A1HTTKDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL11916214 | 0.71 | FGFR1 (0.47) | PDE10AHTTFGFR1EGFRPI4KA | |
| SCHEMBL28198782 | 0.71 | FGFR1 (0.47) | ALDH1A1PDE10AHTTFGFR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103936742-A | Novel PI3K inhibitor containing purine radicals, preparation method and applications thereof | CHENG PENG | 2014-07-23 | — | — | CN | claimed |
| CN-103936742-A | Novel PI3K inhibitor containing purine radicals, preparation method and applications thereof | CHENG PENG | 2014-07-23 | — | — | CN | disclosed |