Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 4/20 | 0.31 |
| ▸ | CASP1 | P29466 | 3/20 | 0.31 |
| ▸ | CASP7 | P55210 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24798978 | 0.62 | — | — | |
| SCHEMBL22891194 | 0.62 | NQO1 (0.30) | — | |
| SCHEMBL24798813 | 0.61 | — | — | |
| SCHEMBL21277202 | 0.59 | — | — | |
| SCHEMBL14108058 | 0.59 | — | — | |
| SCHEMBL19937653 | 0.58 | TDO2 (0.38) | — | |
| SCHEMBL22891528 | 0.57 | — | — | |
| SCHEMBL13824371 | 0.56 | KDM4E (0.46) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL20366894 | 0.56 | — | — | |
| SCHEMBL18614767 | 0.56 | HCAR2 (0.35) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 |
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-3233827-B1 | ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY | ACRAF (IT) | 2020-07-08 | — | — | EP | disclosed |