Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 8/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27792974 | 0.76 | ALDH1A1 (0.31) | TDP1CA12CA1CA2CA9 | |
| SCHEMBL996035 | 0.74 | ALDH1A1 (0.34) | TDP1CA12CA1CA2ALDH1A1 | |
| SCHEMBL517067 | 0.71 | GAA (0.60) | PKMGAAAHRMAPTTDP1 | |
| SCHEMBL20050453 | 0.71 | GSK3B (0.41) | GAAMAPTCA12CA9ALDH1A1 | |
| SCHEMBL2586707 | 0.70 | PKM (0.60) | PKMPKLRALDH1A1 | |
| SCHEMBL30114411 | 0.70 | PKM (0.60) | PKMPKLRALDH1A1 | |
| SCHEMBL1247901 | 0.70 | MAPT (0.52) | GAAAHRBRD4MAPTALDH1A1 | |
| SCHEMBL29591948 | 0.70 | MAPT (0.52) | GAAAHRBRD4MAPTALDH1A1 | |
| SCHEMBL14128442 | 0.69 | MAOB (0.57) | PKMALDH1A1 | |
| SCHEMBL22400700 | 0.68 | PKM (0.56) | PKMPKLRMAPTALDH1A1 |
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-3707139-A1 | XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS | Centre National de la Recherche Scientifique (FR) | 2020-09-16 | — | — | EP | disclosed |