Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3393346 | 0.82 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1ADORA2AADORA1CHRNA7 | |
| SCHEMBL13425400 | 0.81 | GAA (0.50) | HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1 | |
| SCHEMBL3243116 | 0.80 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1ALDH1A1KDM4ERAB9A | |
| SCHEMBL3398225 | 0.79 | ADORA2A (0.49) | HSP90AA1ADORA2AADORA1ALDH1A1HTR7 | |
| SCHEMBL3239822 | 0.75 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1ALDH1A1KDM4ERAB9A | |
| SCHEMBL3952084 | 0.75 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1ADORA2AADORA1CHRNA7 | |
| SCHEMBL28668869 | 0.75 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CHRNA7DCPSMCHR1 | |
| SCHEMBL3952648 | 0.73 | HSP90AA1 (0.81) | HSP90AA1HSP90AB1CHRNA7DCPSALDH1A1 | |
| SCHEMBL2322961 | 0.73 | ADORA2A (0.50) | ADORA2AADORA1ALDH1A1KDM4ERAB9A | |
| SCHEMBL6385078 | 0.72 | KDM4E (0.49) | ADORA2AADORA1ALDH1A1KDM4ECYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010001220-A1 | NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF | MUTABILIS SA (FR) | 2010-01-07 | — | — | WO | disclosed |
| EP-2141164-A1 | New 1,2,4-triazine derivatives and biological applications thereof | Mutabilis (FR) | 2010-01-06 | — | — | EP | disclosed |