Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 2/20 | 0.59 |
| ▸ | MMP8 | P22894 | 2/20 | 0.59 |
| ▸ | TACR1 | P25103 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 3/20 | 0.49 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 7/20 | 0.46 |
| ▸ | ACE | P12821 | 5/20 | 0.46 |
| ▸ | CPA1 | P15085 | 2/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | FCER2 | P06734 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | PTPRB | P23467 | 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 | |
|---|---|---|---|---|
| SCHEMBL2348036 | 0.90 | MMP9 (0.59) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL29436793 | 0.90 | CTSS (0.63) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL22255804 | 0.90 | CTSS (0.63) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL5993911 | 0.90 | CTSS (0.63) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL9910861 | 0.87 | CASP1 (0.52) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL6020550 | 0.85 | MMP9 (0.56) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL13323301 | 0.84 | MMP9 (0.48) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL757454 | 0.83 | MME (0.62) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL2779203 | 0.83 | MME (0.62) | MMP9MMP8TACR1CTSBCTSS | |
| SCHEMBL6021440 | 0.81 | CTSB (0.53) | MMP9MMP8TACR1CTSBCTSS |
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-2009105825-A1 | 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |