Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6559833 | 0.85 | TSHR (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29897883 | 0.85 | TSHR (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL14907404 | 0.83 | ALDH1A1 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30924884 | 0.82 | CYP2C9 (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28983540 | 0.82 | CYP2C9 (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26502532 | 0.80 | ALDH1A1 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28983538 | 0.79 | KDM4E (0.48) | CYP2C9CYP2C19NPC1ALDH1A1TP53 | |
| SCHEMBL27152062 | 0.76 | CYP2C9 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9370802 | 0.76 | KDM4E (0.50) | ALDH1A1MAPK1NPSR1HSD17B10KDM4E | |
| SCHEMBL9513741 | 0.75 | CA12 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5255259-A | — | — | None | — | — | JP | disclosed |
| JP-H05255259-A | PREPARATION OF DIALKYL PYRIDINE-2,3-DICARBOXYLATE AND ITS DERIVATIVE FROM DIALKYL DICHLOROMALEATE | AMERICAN CYANAMID CO | 1993-10-05 | — | — | JP | disclosed |