Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13002974 | 1.00 | ALDH1A1 (0.65) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL8306430 | 0.85 | RAB9A (0.59) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL19899588 | 0.81 | POLB (0.45) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL23462021 | 0.81 | ALDH1A1 (0.56) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL62090 | 0.80 | MAPT (0.56) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL3772178 | 0.80 | POLB (0.76) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL2244713 | 0.79 | POLB (1.00) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL23461849 | 0.78 | ALDH1A1 (0.54) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL19004162 | 0.77 | ALDH1A1 (0.47) | ALDH1A1POLBSMN1; SMN2GAAHTR2C | |
| SCHEMBL14330030 | 0.76 | GAA (0.59) | ALDH1A1POLBSMN1; SMN2GAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4069216-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | Flatley Discovery Lab, LLC (US) | 2022-10-12 | — | — | EP | disclosed |