Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.44 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21604724 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2ALDH1A1RAB9AHPGD | |
| SCHEMBL7214669 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2ALDH1A1RAB9AKDM4EMEN1 | |
| SCHEMBL4228892 | 0.78 | CYP2C9 (0.48) | SMN1; SMN2CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL6487097 | 0.75 | CA12 (0.46) | SMN1; SMN2CYP2C9CYP2C19SIRT2SIRT1 | |
| SCHEMBL6169071 | 0.75 | PKN1 (0.67) | SMN1; SMN2SIRT2SIRT1PKN1PKN2 | |
| SCHEMBL18222953 | 0.75 | ALDH1A1 (0.50) | SMN1; SMN2CYP2C9CYP2C19SIRT2SIRT1 | |
| SCHEMBL1578883 | 0.75 | CYP2C9 (0.48) | CYP2C9CYP2C19RAB9AMAOBCA12 | |
| SCHEMBL29827836 | 0.75 | ALDH1A1 (0.50) | SMN1; SMN2CYP2C9CYP2C19SIRT2SIRT1 | |
| SCHEMBL8832318 | 0.74 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E | |
| SCHEMBL1578888 | 0.74 | CYP2C9 (0.49) | SMN1; SMN2CYP2C9CYP2C19ALDH1A1MAPT |
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-2019116256-A1 | FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-06-20 | — | — | WO | disclosed |