Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | CXCR3 | P49682 | 8/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL27726235 | 1.00 | HDAC8 (0.45) | HDAC8CXCR3KLK5PTPN1ACE | |
| SCHEMBL27705638 | 0.91 | ACE (0.52) | HDAC8CXCR3ACE | |
| SCHEMBL27705634 | 0.91 | ACE (0.52) | HDAC8CXCR3ACE | |
| SCHEMBL27726224 | 0.90 | CXCR3 (0.46) | HDAC8CXCR3PTPN1 | |
| SCHEMBL27726220 | 0.90 | CXCR3 (0.46) | HDAC8CXCR3PTPN1 | |
| SCHEMBL27705646 | 0.87 | HDAC8 (0.55) | HDAC8CXCR3PTPN1ACE | |
| SCHEMBL27705637 | 0.86 | HDAC8 (0.58) | HDAC8CXCR3KLK5ACE | |
| SCHEMBL22962231 | 0.86 | HDAC8 (0.58) | HDAC8CXCR3KLK5ACE | |
| SCHEMBL27705687 | 0.86 | HDAC8 (0.58) | HDAC8CXCR3KLK5ACE | |
| SCHEMBL10752343 | 0.84 | HDAC8 (0.50) | HDAC8CXCR3KLK5PTPN1ACE |
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 |
|---|---|---|---|---|---|---|---|
| CN-101200493-B | (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof | UNIV CAPITAL MEDICAL | 2011-11-09 | — | — | CN | disclosed |
| CN-101200493-A | (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof | UNIV CAPITAL MEDICAL SCIENCES (CN) | 2008-06-18 | — | — | CN | disclosed |