Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 10/20 | 0.42 |
| ▸ | MME | P08473 | 5/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 5/20 | 0.42 |
| ▸ | CPA1 | P15085 | 4/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5963440 | 1.00 | ACE (0.42) | ACEMMEACE2CPA1CTSS | |
| SCHEMBL5963614 | 0.91 | ACE (0.42) | ACECTSL | |
| SCHEMBL3362555 | 0.86 | PPARA (0.46) | ACEMMEACE2CPA1CTSS | |
| SCHEMBL3363745 | 0.81 | CTSS (0.43) | MMECTSSCTSLCTSK | |
| SCHEMBL5963699 | 0.80 | ACE (0.47) | ACEMMEACE2CPA1MMP1 | |
| SCHEMBL5963752 | 0.78 | ACE (0.60) | ACE | |
| SCHEMBL5963738 | 0.78 | ACE (0.40) | ACECTSL | |
| SCHEMBL5963231 | 0.77 | MME (0.45) | ACEMMEACE2CPA1 | |
| SCHEMBL5963237 | 0.77 | MME (0.45) | ACEMMEACE2CPA1 | |
| SCHEMBL5964064 | 0.75 | MME (0.43) | ACEMMEACE2CPA1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6995265-B2 | Synthesis of nicotine derivatives from nicotine | NORTH CAROLINA STATE UNIVERSITY (US) | 2006-02-07 | — | — | US | disclosed |
| EP-1430045-A1 | PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS | Novartis AG (CH) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003027091-A1 | PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS | NOVARTIS AG (CH) | 2003-04-03 | — | — | WO | disclosed |