Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933303 | 0.84 | HPGD (0.47) | ALDH1A1HPGDPOLBTDP1MAOA | |
| SCHEMBL14193618 | 0.78 | PDE4A (0.41) | ALDH1A1HPGDMAPTMCL1KMT2A | |
| SCHEMBL8773218 | 0.77 | MAPT (0.37) | ALDH1A1HPGDPOLBTDP1MAPT | |
| SCHEMBL10007323 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDHSP90AA1MAOAMAOB | |
| SCHEMBL11297053 | 0.76 | L3MBTL1 (0.49) | ALDH1A1HPGDTDP1MAPTTP53 | |
| SCHEMBL11561552 | 0.76 | BCL2 (0.50) | ALDH1A1HPGDTDP1HSP90AA1MAOA | |
| SCHEMBL19086319 | 0.74 | ESR2 (0.53) | ALDH1A1HPGDTDP1MAOAMAOB | |
| SCHEMBL14194614 | 0.74 | HTR1A (0.41) | ALDH1A1HPGDPOLBTDP1HSP90AA1 | |
| SCHEMBL17835413 | 0.73 | MAOA (0.44) | ALDH1A1HPGDMAOAMAOBMAPT | |
| SCHEMBL12795608 | 0.73 | MAOA (0.44) | ALDH1A1HPGDMAOAMAOBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101300250-B | Heterocyclic substituted pyridine derivative and antifungal agent containing the same | EISAI R&D MAN CO LTD | 2012-09-05 | — | — | CN | disclosed |
| CN-101668767-A | Pyridine derivatives substituted with heterocyclic ring and phosphonoamino group and antifungal agent containing the same | EISAI R&D MAN CO LTD | 2010-03-10 | — | — | CN | disclosed |
| CN-101300250-A | Heterocyclic substituted pyridine derivative and antifungal agent containing the same | EISAI R&D MAN CO LTD (JP) | 2008-11-05 | — | — | CN | disclosed |