Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15224309 | 0.84 | AKR1B10 (0.48) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL15224304 | 0.84 | AKR1B10 (0.48) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL15224346 | 0.77 | AKR1B10 (0.40) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL15224305 | 0.77 | AKR1B10 (0.40) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL30392193 | 0.76 | HTT (0.55) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL6522857 | 0.73 | BACE1 (0.56) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL16224829 | 0.72 | AKR1B10 (0.37) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL4117028 | 0.72 | HTT (0.67) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL15224327 | 0.72 | PTPN1 (0.39) | AKR1B10AKR1B1AKR1C3MMP2PAK1 | |
| SCHEMBL15224325 | 0.72 | PTPN1 (0.39) | AKR1B10AKR1B1AKR1C3MMP2PAK1 |
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-2014177593-A1 | AMORFRUTIN ANALOGS AS PPARGAMMA-MODULATORS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-11-06 | — | — | WO | disclosed |