Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15434162 | 0.92 | GAA (0.50) | SMN1; SMN2ESR1GAARXRANR1H4 | |
| SCHEMBL15434120 | 0.85 | GAA (0.50) | SMN1; SMN2ESR1GAARXRANR1H4 | |
| SCHEMBL15429179 | 0.84 | RAB9A (0.39) | SMN1; SMN2ESR1RXRADHODHRXRB | |
| SCHEMBL15434135 | 0.84 | IP6K1 (0.46) | SMN1; SMN2ESR1GAARXRANR1H4 | |
| SCHEMBL15434145 | 0.84 | ESR1 (0.44) | SMN1; SMN2ESR1GAARXRANR1H4 | |
| SCHEMBL15434144 | 0.84 | IP6K1 (0.46) | SMN1; SMN2ESR1GAARXRANR1H4 | |
| SCHEMBL15434108 | 0.84 | IP6K1 (0.46) | SMN1; SMN2ESR1GAARXRANR1H4 | |
| SCHEMBL13581116 | 0.83 | NPSR1 (0.47) | GAARXRADHODHRXRBXDH | |
| SCHEMBL13580962 | 0.83 | KDM4E (0.46) | SMN1; SMN2ESR1GAARXRAHTT | |
| SCHEMBL15434095 | 0.82 | GAA (0.44) | SMN1; SMN2ESR1GAARXRANR1H4 |
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-8633245-B2 | PAI-1 inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2014-01-21 | — | — | US | disclosed |