Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | SCN4A | P35499 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19618883 | 1.00 | CYP3A4 (0.55) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL18295367 | 0.83 | SCN4A (0.52) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL19618912 | 0.83 | SCN4A (0.52) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL9479823 | 0.83 | SCN4A (0.52) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL17947652 | 0.82 | AAK1 (0.49) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL8909896 | 0.82 | LMNA (0.59) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL18295340 | 0.81 | SCN4A (0.47) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL18295391 | 0.81 | SCN4A (0.47) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL18294076 | 0.79 | SCN4A (0.46) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 | |
| SCHEMBL18294079 | 0.79 | SCN4A (0.46) | CYP3A4SCN4ACYP1A2CYP2D6NFKB1 |
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-9822115-B2 | Nitrogen containing compounds and their use as antibacterial agents | WOCKHARDT LIMITED (IN) | 2017-11-21 | — | — | US | disclosed |