Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.39 |
| ▸ | GABRP | O00591 | 3/20 | 0.39 |
| ▸ | GABRD | O14764 | 3/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.39 |
| ▸ | GABRE | P78334 | 3/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.39 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.39 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9868508 | 0.75 | GABRA1 (0.49) | GABRA1GABRA5GABRA3GABRA2GABRA6 | |
| SCHEMBL9869186 | 0.71 | CA12 (0.42) | CYP1A2NR1H2NR1H3ALDH1A1HPGD | |
| SCHEMBL9869495 | 0.71 | CA12 (0.42) | ALDH1A1HPGDCYP3A4GAA | |
| SCHEMBL9868657 | 0.70 | NR1H2 (0.44) | GABRA1GABRA5GABRA3GABRA2GABRA6 | |
| SCHEMBL16851079 | 0.69 | ADORA3 (0.65) | ADORA3CYP1A2CYP2C19PDE4DALDH1A1 | |
| SCHEMBL9785613 | 0.68 | NR1H2 (0.44) | CYP1A2CYP2C19NR1H2NR1H3PDE4D | |
| SCHEMBL8832474 | 0.67 | ADORA3 (0.42) | ADORA3CYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL9868685 | 0.66 | BRD4 (0.46) | GABRA1GABRA5GABRA3GABRA2GABRA6 | |
| SCHEMBL25238862 | 0.66 | PDE4D (0.49) | NR1H2NR1H3PDE4DALDH1A1HPGD | |
| SCHEMBL20135721 | 0.66 | CA12 (0.44) | GABRA1GABRA5GABRA3GABRA2GABRA6 |
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-4997947-A | Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |