Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | GSPT1 | P15170 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16240123 | 0.87 | SLC22A12 (0.43) | BRD4NLRP3ALDH1A1CASP3TP53 | |
| SCHEMBL16239526 | 0.87 | GAA (0.42) | BRD4ALDH1A1PKMKMT2AGAA | |
| SCHEMBL16239479 | 0.86 | BRD4 (0.38) | BRD4NLRP3CASP3KMT2A | |
| SCHEMBL16240075 | 0.86 | L3MBTL1 (0.45) | BRD4ALDH1A1TP53HSD11B1KMT2A | |
| SCHEMBL16239627 | 0.86 | KMT2A (0.41) | ALDH1A1PKMPOLBTP53RAB9A | |
| SCHEMBL16239477 | 0.85 | BRD4 (0.38) | BRD4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL2136761 | 0.84 | BRD4 (0.43) | BRD4NLRP3ALDH1A1CASP3PKM | |
| SCHEMBL16239829 | 0.83 | PTGES2 (0.39) | ALDH1A1CCR2HSD11B1KDM4ELMNA | |
| SCHEMBL16240072 | 0.83 | CA12 (0.42) | BRD4ALDH1A1TP53KMT2AGAA | |
| SCHEMBL2134891 | 0.81 | BRD4 (0.44) | BRD4NLRP3ALDH1A1CASP3PKM |
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-2630124-B1 | TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | claimed |