Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.56 |
| ▸ | CTSL | P07711 | 6/20 | 0.55 |
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KLK7 | P49862 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27726223 | 1.00 | TACR1 (0.56) | TACR1CTSLCTSSCTSKMAPT | |
| SCHEMBL28770050 | 0.92 | CTSL (0.58) | TACR1CTSLCTSSCTSKMAPT | |
| SCHEMBL28770048 | 0.92 | CTSL (0.58) | TACR1CTSLCTSSCTSKMAPT | |
| SCHEMBL8710608 | 0.91 | TACR1 (0.57) | TACR1CTSLCTSSCTSKHDAC1 | |
| SCHEMBL28186958 | 0.86 | TACR1 (0.56) | TACR1CTSLCTSSCTSKMAPT | |
| SCHEMBL22962231 | 0.83 | HDAC8 (0.58) | CTSLCTSSCTSKHDAC1HDAC8 | |
| SCHEMBL27705637 | 0.83 | HDAC8 (0.58) | CTSLCTSSCTSKHDAC1HDAC8 | |
| SCHEMBL27705687 | 0.83 | HDAC8 (0.58) | CTSLCTSSCTSKHDAC1HDAC8 | |
| SCHEMBL6802720 | 0.83 | CTSL (0.58) | TACR1CTSLCTSSCTSKMAPT | |
| SCHEMBL27705635 | 0.81 | HDAC8 (0.44) | HDAC8 |
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 |