Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18644466 | 0.86 | ITGB3 (0.47) | ITGB3ITGA2BPPARAITGA4ITGB1 | |
| SCHEMBL6307236 | 0.84 | LDHA (0.55) | ITGB3ITGA2BITGA4ITGB1MMP1 | |
| SCHEMBL620471 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL28031750 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL7142929 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL28663068 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL38651117 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL28379862 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL8975007 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 | |
| SCHEMBL620470 | 0.81 | GRIA1 (0.50) | MMEACECPA1ACE2 |
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-2017044445-A1 | SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER | On Target Laboratories, LLC (US) | 2017-03-16 | — | — | WO | disclosed |