Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.32 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1421920 | 0.80 | NOS1 (0.47) | GABRG2GABRB3GABRA5HPGDSGABRA1 | |
| SCHEMBL22190961 | 0.78 | HPGDS (0.39) | GABRG2GABRB3GABRA5HPGDSF2 | |
| SCHEMBL7421479 | 0.78 | GABRG2 (0.40) | GABRG2GABRB3GABRA5HPGDSGABRA1 | |
| SCHEMBL28074789 | 0.77 | SCN4A (0.38) | GABRG2GABRB3GABRA5HPGDSGABRA1 | |
| SCHEMBL805980 | 0.74 | NOS1 (0.40) | CYP17A1ATRF2PLAUKLKB1 | |
| SCHEMBL22263387 | 0.74 | GABRG2 (0.36) | GABRG2GABRB3GABRA5HPGDSGABRA1 | |
| SCHEMBL27610277 | 0.73 | TSHR (0.49) | GABRG2GABRB3GABRA5HPGDSGABRA1 | |
| SCHEMBL24971447 | 0.71 | PCSK9 (0.37) | ALOX15HPGDSPCSK9GAAALDH1A1 | |
| SCHEMBL28074788 | 0.70 | HPGDS (0.34) | GABRG2GABRB3GABRA5HPGDSGABRA1 | |
| SCHEMBL28761548 | 0.69 | HPGDS (0.39) | GABRG2GABRB3GABRA5ALOX15HPGDS |
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 |
|---|---|---|---|---|---|---|---|
| EP-1480971-A1 | ISOQUINOLINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2004-12-01 | — | — | EP | disclosed |
| WO-2003074512-A1 | ISOQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-12 | — | — | WO | disclosed |