Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CD69 | Q07108 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PYGB | P11216 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25518922 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL14051305 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL9914082 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL14025370 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL18102361 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL11946954 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL18708293 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL22311199 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL22311210 | 1.00 | ALDH1A1 (0.63) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 | |
| SCHEMBL9914084 | 0.89 | ALDH1A1 (0.57) | ALDH1A1THRBMAPK1SMN1; SMN2CD69 |
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-2020159448-A1 | MOLECULAR RENAL PROBES FOR DETECTING ACUTE KIDNEY INJURY | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2020-08-06 | — | — | WO | disclosed |