Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | HTT | P42858 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | TP53 | P04637 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | P62805 | 1/20 | 0.43 |
| ▸ | PDE6D | O43924 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3617954 | 0.90 | ALDH1A1 (0.57) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL5582025 | 0.71 | ALDH1A1 (1.00) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL30789276 | 0.70 | TP53 (0.71) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL10443668 | 0.70 | ALDH1A1 (0.92) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL29974892 | 0.69 | PDE3B (0.59) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL3440842 | 0.69 | MEN1 (0.43) | ALDH1A1SMN1; SMN2BRD4MEN1KMT2A | |
| SCHEMBL6475362 | 0.69 | ALDH1A1 (0.74) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL10443667 | 0.69 | ALDH1A1 (0.82) | ALDH1A1HTTMAPTSMN1; SMN2TP53 | |
| SCHEMBL3440841 | 0.68 | PTGER4 (0.47) | BRD4 | |
| SCHEMBL8024196 | 0.68 | TP53 (0.62) | ALDH1A1HTTMAPTSMN1; SMN2TP53 |
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-2058308-A1 | Benzimidazoledihydrothiadiazinone derivatives used as fructose-1,6-biphosphatase inhibitors and pharmaceutical compositions containing same. | Merck Sante (FR) | 2009-05-13 | — | — | EP | disclosed |