Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30435410 | 1.00 | PYCR1 (0.44) | PYCR1TAAR1SLC6A2SLC6A4GRIN1 | |
| SCHEMBL30435138 | 0.89 | PYCR1 (0.43) | PYCR1TAAR1SLC6A2SLC6A4AOC3 | |
| SCHEMBL28555041 | 0.89 | PYCR1 (0.43) | PYCR1TAAR1SLC6A2SLC6A4AOC3 | |
| SCHEMBL28911320 | 0.88 | PYCR1 (0.40) | PYCR1TAAR1AOC3KMT2AMEN1 | |
| SCHEMBL30435089 | 0.88 | PYCR1 (0.40) | PYCR1TAAR1AOC3KMT2AMEN1 | |
| SCHEMBL20404615 | 0.80 | KMT2A (0.56) | PYCR1TAAR1SLC6A2SLC6A4KMT2A | |
| SCHEMBL2578168 | 0.79 | PYCR1 (0.45) | PYCR1SLC6A2SLC6A4AOC3KMT2A | |
| SCHEMBL28168731 | 0.78 | MEN1 (0.54) | PYCR1TAAR1AOC3KMT2AMEN1 | |
| SCHEMBL748686 | 0.75 | TAAR1 (0.49) | PYCR1TAAR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL20374838 | 0.75 | TAAR1 (0.52) | PYCR1TAAR1SLC6A2SLC6A4AOC3 |
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-112679427-B | Tetrahydroisoquinoline derivative, preparation method thereof and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-112679427-A | Tetrahydroisoquinoline derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-04-20 | — | — | CN | disclosed |