Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 4/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | IL2 | P60568 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3815413 | 0.91 | ALDH1A1 (0.50) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL3815407 | 0.91 | ALDH1A1 (0.50) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL8326312 | 0.89 | ITGA4 (0.46) | ITGA4ITGB7CTSKALDH1A1ALB | |
| SCHEMBL13287076 | 0.87 | ALDH1A1 (0.47) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL1151883 | 0.87 | GSTP1 (0.50) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL19293085 | 0.87 | GSTP1 (0.50) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL30153769 | 0.87 | GSTP1 (0.50) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL1151881 | 0.87 | GSTP1 (0.50) | ITGA4ITGB7GSTP1GSTM2BCL2 | |
| SCHEMBL2791356 | 0.86 | ACE (0.53) | ITGA4ITGB7BCL2CTSSCTSK | |
| SCHEMBL2791359 | 0.86 | ACE (0.53) | ITGA4ITGB7BCL2CTSSCTSK |
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-2004072054-A1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GMBH (DE) | 2004-08-26 | — | — | WO | disclosed |