Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1719910 | 0.99 | PARP1 (0.38) | PARP1HTR2CHTR2AKCNH2GABRA1 | |
| SCHEMBL1720278 | 0.84 | PARP1 (0.49) | PARP1HTR2A | |
| SCHEMBL1719871 | 0.81 | PARP1 (0.63) | PARP1HTR2A | |
| SCHEMBL1720062 | 0.77 | PARP1 (0.41) | PARP1 | |
| SCHEMBL1720663 | 0.76 | ALDH1A1 (0.47) | PARP1 | |
| SCHEMBL12845934 | 0.73 | ATM (0.45) | PARP1HTR2CHTR2AKCNH2GABRA1 | |
| SCHEMBL1719884 | 0.72 | PARP1 (0.71) | PARP1HTR2CHTR2AKCNH2KHK | |
| SCHEMBL1720694 | 0.71 | PARP1 (0.41) | PARP1 | |
| SCHEMBL373467 | 0.71 | BCHE (0.44) | HTR2CHTR2ASLC18A3SIGMAR1ADRB2 | |
| Hydrochloric Acid SCHEMBL1719792 | 0.71 | PARP1 (0.70) | PARP1HTR2CHTR2AKCNH2KHK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1566380-B1 | ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-01-11 | — | — | EP | claimed |
| US-7501412-B2 | Isoquinoline compounds and medicinal use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-10 | — | — | US | disclosed |
| US-7501412-B2 | Isoquinoline compounds and medicinal use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-10 | — | — | US | disclosed |