Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MME | P08473 | 1/20 | 0.54 |
| ▸ | ACE | P12821 | 1/20 | 0.54 |
| ▸ | ECE1 | P42892 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5723356 | 0.96 | ALDH1A1 (0.51) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5723144 | 0.96 | ECE1 (0.55) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5722907 | 0.95 | GAA (0.53) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5723752 | 0.95 | ALDH1A1 (0.59) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5723189 | 0.93 | MMP9 (0.54) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5722877 | 0.93 | MMP1 (0.56) | ALDH1A1MMEACEECE1GFER | |
| SCHEMBL5723075 | 0.92 | GAA (0.55) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5723026 | 0.92 | ECE1 (0.48) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5723338 | 0.91 | ECE1 (0.47) | ALDH1A1MMEACEECE1POLB | |
| SCHEMBL5723111 | 0.91 | ALDH1A1 (0.49) | ALDH1A1MMEACEECE1POLB |
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 |