Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTPRA | P18433 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8457112 | 0.88 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1CYP1A2FDPS | |
| SCHEMBL8734087 | 0.80 | HDAC3 (0.47) | SMN1; SMN2CYP2C19MAPK1LMNA | |
| SCHEMBL8736686 | 0.77 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19FDPS | |
| SCHEMBL1377622 | 0.74 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19FDPS | |
| SCHEMBL8736669 | 0.72 | HDAC3 (0.57) | SMN1; SMN2MAPK1LMNA | |
| SCHEMBL3673389 | 0.72 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19MAPK1 | |
| SCHEMBL6687222 | 0.72 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19MAPK1 | |
| SCHEMBL8732951 | 0.71 | NPSR1 (0.50) | SMN1; SMN2ALDH1A1MAPK1NPC1 | |
| Hydrochloric Acid SCHEMBL7206845 | 0.70 | SMN1; SMN2 (0.71) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19MAPK1 | |
| SCHEMBL2302450 | 0.70 | SMN1; SMN2 (0.66) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5795877-A | Inhibitors of NAALADase enzyme activity | GUILFORD PHARMACEUTICALS INC. (US) | 1998-08-18 | — | — | US | disclosed |