Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9738531 | 0.90 | GABRA1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8314761 | 0.90 | TSHR (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9738512 | 0.88 | CYP3A4 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8940618 | 0.87 | LMNA (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9739195 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9738063 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9738231 | 0.82 | CYP2D6 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9738417 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7487573 | 0.81 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8314257 | 0.81 | MAPT (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992006979-A1 | NEW DIAZINES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1992-04-30 | — | — | WO | disclosed |