Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 10/20 | 0.46 |
| ▸ | PPARG | P37231 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18650400 | 0.88 | FOLH1 (0.34) | PPARAPPARGALDH1A1 | |
| SCHEMBL18631755 | 0.88 | FOLH1 (0.34) | PPARAPPARGALDH1A1 | |
| SCHEMBL20122594 | 0.84 | PPARG (0.33) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2082970 | 0.83 | PPARA (0.53) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7860189 | 0.83 | PPARA (0.53) | PPARAPPARGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18653782 | 0.83 | FOLH1 (0.32) | PPARAPPARGALDH1A1 | |
| SCHEMBL18650338 | 0.82 | MME (0.35) | ACEALDH1A1 | |
| SCHEMBL18631753 | 0.82 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL18650395 | 0.82 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL20122408 | 0.82 | PPARG (0.33) | PPARAPPARGCYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |