Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | USP7 | Q93009 | 2/20 | 0.39 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4362290 | 0.79 | AKR1B1 (0.42) | ALDH1A1MAPK1LMNAHTTUSP7 | |
| SCHEMBL4362286 | 0.79 | AKR1B1 (0.42) | ALDH1A1MAPK1LMNAHTTUSP7 | |
| SCHEMBL13706922 | 0.77 | PDGFRB (0.45) | ALDH1A1MAPK1LMNAHTTUSP7 | |
| SCHEMBL10079575 | 0.76 | PDE4D (0.35) | GAA | |
| SCHEMBL4351783 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPK1LMNAHTTUSP7 | |
| SCHEMBL6889978 | 0.73 | ALDH1A1 (0.51) | ALDH1A1MAPK1LMNATDP1TSHR | |
| SCHEMBL21736851 | 0.72 | PDE4D (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL12341859 | 0.72 | ALDH1A1 (0.49) | ALDH1A1MAPK1LMNAHTTUSP7 | |
| SCHEMBL15770940 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPK1LMNAHTTUSP7 | |
| SCHEMBL4359807 | 0.72 | GPR35 (0.52) | ALDH1A1MAPK1LMNAHTTUSP7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105916503-A | Heteroaryls and uses thereof | 米伦纽姆医药公司 | 2016-08-31 | — | — | CN | disclosed |