Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 9/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.51 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.51 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.51 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.51 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.51 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CXCR3 | P49682 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27726225 | 1.00 | ACE (0.55) | ACEHDAC8PSEN1PSEN2APH1B | |
| SCHEMBL27705646 | 0.91 | HDAC8 (0.55) | ACEHDAC8PSEN1PSEN2APH1B | |
| SCHEMBL27705695 | 0.90 | ACE (0.55) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL27705696 | 0.90 | ACE (0.55) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL28769816 | 0.89 | ACE (0.54) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL28769818 | 0.89 | ACE (0.54) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL27726211 | 0.88 | HDAC8 (0.57) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL27726210 | 0.88 | HDAC8 (0.57) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL22962224 | 0.88 | HDAC8 (0.57) | ACEHDAC8ABCB11CXCR3 | |
| SCHEMBL10739004 | 0.87 | ACE (0.59) | ACEHDAC8ABCB11 |
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 |