Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | MMP9 | P14780 | 3/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 6/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31345792 | 0.86 | MME (0.57) | NAALAD2MMP2MMP9ADAMTS4MME | |
| SCHEMBL144008 | 0.86 | MME (0.57) | NAALAD2MMP2MMP9ADAMTS4MME | |
| SCHEMBL199980 | 0.86 | MME (0.57) | NAALAD2MMP2MMP9ADAMTS4MME | |
| SCHEMBL144009 | 0.86 | MME (0.57) | NAALAD2MMP2MMP9ADAMTS4MME | |
| SCHEMBL15545167 | 0.85 | NAALAD2 (0.47) | NAALAD2MMENPSR1FPR2ACE | |
| SCHEMBL16011690 | 0.82 | ACE (0.61) | NAALAD2ACEALDH1A1 | |
| SCHEMBL16011691 | 0.82 | ACE (0.61) | NAALAD2ACEALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL31261334 | 0.80 | ACE (0.55) | NAALAD2MMP2MMP9ADAMTS4MME | |
| SCHEMBL7365767 | 0.79 | MME (0.55) | NAALAD2MMENPSR1FPR2ACE | |
| Dl-Phenylalanine SCHEMBL27397102 | 0.79 | SLC7A5 (0.69) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958289-A1 | AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998034934-A1 | AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-08-13 | — | — | WO | disclosed |