Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.55 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.51 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 4/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | KLK7 | P49862 | 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 | |
|---|---|---|---|---|
| SCHEMBL19155378 | 1.00 | TACR1 (0.55) | TACR1ITGA4ITGB7KLK5OPRK1 | |
| SCHEMBL23780715 | 0.93 | PPARA (0.53) | TACR1ITGA4ITGB7MEN1KMT2A | |
| SCHEMBL19155424 | 0.93 | PPARA (0.53) | TACR1ITGA4ITGB7MEN1KMT2A | |
| SCHEMBL17772596 | 0.89 | KLK5 (0.51) | TACR1ITGA4ITGB7KLK5EPHX2 | |
| SCHEMBL17772597 | 0.89 | KLK5 (0.51) | TACR1ITGA4ITGB7KLK5EPHX2 | |
| SCHEMBL17772588 | 0.89 | KLK5 (0.53) | TACR1KLK5PPARAKLK7 | |
| SCHEMBL2583495 | 0.89 | KLK5 (0.54) | TACR1ITGA4ITGB7KLK5CACNA1B | |
| SCHEMBL28310184 | 0.89 | KLK5 (0.54) | TACR1ITGA4ITGB7KLK5CACNA1B | |
| SCHEMBL23574659 | 0.86 | KLK5 (0.52) | TACR1ITGA4ITGB7KLK5OPRK1 | |
| SCHEMBL17773459 | 0.85 | TACR1 (0.51) | TACR1ITGA4ITGB7KLK5OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313222-B | Tetrahydroisoquinoline derivative, preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-113880825-A | Salt of tetrahydroisoquinoline derivative, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-112313222-A | Tetrahydroisoquinoline derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2021-02-02 | — | — | CN | disclosed |