Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22854215 | 0.93 | TDP1 (0.40) | ALDH1A1ADRA1AHMGCRCHRM1TBXA2R | |
| SCHEMBL5807159 | 0.86 | ALDH1A1 (0.43) | ALDH1A1ADRA1AHMGCRCHRM1TBXA2R | |
| SCHEMBL25752842 | 0.80 | POLB (0.49) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL4240347 | 0.78 | TDP1 (0.43) | ADRA1ATDP1FFAR1CPT2KDM4E | |
| SCHEMBL26923970 | 0.77 | HMGCR (0.34) | ADRA1AHMGCRCHRM1TBXA2RTDP1 | |
| SCHEMBL8270471 | 0.75 | TDP1 (0.62) | TDP1MEN1KMT2AGAA | |
| SCHEMBL28755133 | 0.74 | ALDH1A1 (0.34) | ALDH1A1ADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL5620319 | 0.74 | ALDH1A1 (0.44) | ALDH1A1ADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL8958360 | 0.74 | KDM4E (0.43) | ALDH1A1ADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL3174690 | 0.74 | KDM4E (0.50) | ALDH1A1ADRA1AKDM4EMAPK1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |