Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.54 |
| ▸ | CXCR3 | P49682 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7485383 | 1.00 | HDAC8 (0.56) | HDAC8PTPN1CXCR3NPSR1 | |
| SCHEMBL6238826 | 0.85 | HDAC8 (0.70) | HDAC8PTPN1CXCR3NPSR1 | |
| SCHEMBL22962123 | 0.83 | MAPK1 (0.53) | HDAC8PTPN1 | |
| SCHEMBL22962122 | 0.81 | FNTA (0.51) | HDAC8PTPN1NPSR1 | |
| SCHEMBL9033407 | 0.80 | HDAC8 (0.53) | HDAC8PTPN1 | |
| SCHEMBL9033397 | 0.80 | HDAC8 (0.53) | HDAC8PTPN1 | |
| SCHEMBL7479393 | 0.80 | OPRM1 (0.55) | HDAC8 | |
| SCHEMBL7479387 | 0.80 | OPRM1 (0.55) | HDAC8 | |
| SCHEMBL11986410 | 0.79 | HDAC8 (0.53) | HDAC8PTPN1CXCR3 | |
| SCHEMBL9033831 | 0.78 | HDAC8 (0.64) | HDAC8PTPN1CXCR3 |
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-0914332-B1 | ISOQUINOLINES USEFUL AS ANALGESICS | ASTRAZENECA AB (SE) | 2002-05-08 | — | — | EP | disclosed |
| US-6034097-A | Isoquinolines useful as analgesics | ASTRA AB (SE) | 2000-03-07 | — | — | US | disclosed |