Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 4/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.32 |
| ▸ | CKS1B | P61024 | 1/20 | 0.32 |
| ▸ | SKP1 | P63208 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15865612 | 0.90 | CYP1A2 (0.36) | CYP1A2HPGDSPTGER2BRD4AKT1 | |
| SCHEMBL2362585 | 0.88 | MRGPRX4 (0.35) | CYP1A2HPGDSPTGER2BRD4AKT1 | |
| SCHEMBL15865620 | 0.84 | MRGPRX4 (0.33) | CYP1A2BRD4AKT1MRGPRX4PDE5A | |
| SCHEMBL23567539 | 0.84 | NR1D1 (0.40) | CYP1A2HPGDSBRD4AKT1MRGPRX4 | |
| SCHEMBL15865629 | 0.82 | MRGPRX4 (0.39) | CYP1A2MAPTMRGPRX4 | |
| SCHEMBL2349945 | 0.81 | KDM4E (0.48) | BRD4MRGPRX4 | |
| SCHEMBL29892650 | 0.81 | KDM4E (0.48) | BRD4MRGPRX4 | |
| SCHEMBL27119074 | 0.80 | MRGPRX4 (0.37) | CYP1A2HPGDSBRD4SLC7A5MRGPRX4 | |
| SCHEMBL30801055 | 0.80 | MRGPRX4 (0.37) | CYP1A2HPGDSBRD4SLC7A5MRGPRX4 | |
| SCHEMBL30960193 | 0.80 | KDM4E (0.47) | BRD4MRGPRX4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8772446-B2 | Bifunctional chelating agents | NORDION (CANADA) INC. (CA) | 2014-07-08 | — | — | US | disclosed |