Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSPO | P30536 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19444474 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TSPOGAAMAPTRAB9A | |
| SCHEMBL3026957 | 0.84 | TSPO (0.52) | ALDH1A1TSPOGABRA2GABRB2NR1I2 | |
| SCHEMBL13217927 | 0.84 | TSPO (0.52) | ALDH1A1TSPOGABRA2GABRB2NR1I2 | |
| SCHEMBL3036905 | 0.80 | TSPO (0.56) | ALDH1A1TSPOGAAMAPTGABRA2 | |
| SCHEMBL19444514 | 0.80 | TSPO (0.56) | ALDH1A1TSPOGABRA2GABRB2NR1I2 | |
| SCHEMBL3016926 | 0.80 | TSPO (0.53) | TSPOGABRA2GABRB2NR1I2ABCB11 | |
| SCHEMBL13217936 | 0.80 | TSPO (0.53) | TSPOGABRA2GABRB2NR1I2ABCB11 | |
| SCHEMBL3029698 | 0.79 | TSPO (0.54) | TSPOGABRA2GABRB2NR1I2ABCB11 | |
| SCHEMBL14302332 | 0.78 | TSPO (0.53) | ALDH1A1TSPOGABRA2GABRB2NR1I2 | |
| SCHEMBL13217931 | 0.78 | TSPO (0.60) | TSPOGABRA2GABRB2KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2752415-B1 | Fluorinated ligands for targeting peripheral benzodiazepine receptors | AUSTRALIAN NUCLEAR SCIENCE & TECH ORGANISATION (AU) | 2017-10-11 | — | — | EP | disclosed |