Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MME | P08473 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | ECE1 | P42892 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5724342 | 0.95 | ALDH1A1 (0.55) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5723144 | 0.91 | ECE1 (0.55) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5723356 | 0.91 | ALDH1A1 (0.51) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5722907 | 0.90 | GAA (0.53) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5723753 | 0.89 | MME (0.52) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5723156 | 0.88 | MME (0.53) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5723189 | 0.88 | MMP9 (0.54) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5722877 | 0.88 | MMP1 (0.56) | ALDH1A1MMEACEECE1 | |
| SCHEMBL5723075 | 0.87 | GAA (0.55) | ALDH1A1POLBHTTMMEACE | |
| SCHEMBL5723026 | 0.87 | ECE1 (0.48) | ALDH1A1POLBHTTMMEACE |
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-1317428-B1 | PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |