Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1696905 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPK1SMN1; SMN2HRH3 | |
| SCHEMBL27911382 | 0.79 | GRIN2B (0.42) | GLRA1HRH3GRIN2B | |
| SCHEMBL27911359 | 0.76 | HRH3 (0.42) | ALDH1A1GLRA1HRH3GRIN2BKDM4E | |
| SCHEMBL27630185 | 0.73 | GLRA1 (0.38) | ALDH1A1TSHRSMN1; SMN2GLRA1HRH3 | |
| SCHEMBL18395970 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPK1SMN1; SMN2HRH3 | |
| SCHEMBL2424925 | 0.72 | GLRA1 (0.45) | ALDH1A1TSHRMAPK1SMN1; SMN2GLRA1 | |
| SCHEMBL5142490 | 0.72 | CNR2 (0.48) | — | |
| SCHEMBL3901925 | 0.72 | SLC6A9 (0.43) | ALDH1A1GLRA1HRH3 | |
| SCHEMBL29235961 | 0.71 | ALDH1A1 (0.53) | ALDH1A1TSHRMAPK1SMN1; SMN2HTT | |
| SCHEMBL2896522 | 0.71 | CNR2 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |