Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1664963 | 0.77 | SMN1; SMN2 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9690087 | 0.73 | CYP2A6 (0.38) | MAPTPDE10ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL9691174 | 0.73 | CYP17A1 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9689135 | 0.72 | CYP17A1 (0.48) | SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL2659380 | 0.72 | CYP2A6 (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL24121997 | 0.70 | RXFP1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27351163 | 0.70 | CYP17A1 (0.34) | SMN1; SMN2MAPTDRD2APAF1HPGD | |
| SCHEMBL9690979 | 0.69 | MAPT (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9691157 | 0.68 | CYP17A1 (0.32) | — | |
| SCHEMBL27363805 | 0.68 | CYP2A6 (0.47) | GABRA1GABRG2GABRB3GABRA2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1060843-A | TRIAZOLOPYRIDAZINE DERIVATES | RHONE POULENC AGROCHIMIE (FR) | 1992-05-06 | — | — | CN | disclosed |