Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | GAA | P10253 | 3/20 | 0.67 |
| ▸ | GFER | P55789 | 1/20 | 0.67 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28629032 | 0.83 | ALDH1A1 (0.47) | ALDH1A1GAAGFERSLC7A5CDC25B | |
| SCHEMBL7237331 | 0.83 | ALDH1A1 (0.75) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL30565426 | 0.83 | ALDH1A1 (0.75) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL24410145 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL30965002 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL8147823 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL20045098 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL287469 | 0.80 | GAA (1.00) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL7247237 | 0.79 | ALDH1A1 (0.69) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL5734658 | 0.79 | ALDH1A1 (0.69) | ALDH1A1GAAGFERSLC7A5CYP4F2 |
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-2012170845-A2 | METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF | HEFFERNAN MICHELE L R (US) | 2012-12-13 | — | — | WO | disclosed |