Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.43 |
| ▸ | RPS27 | P42677 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15503827 | 0.79 | HPGD (0.57) | HTTTSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL26862940 | 0.75 | HTT (0.49) | HTTKMT2AMEN1MAPTRECQL | |
| SCHEMBL31263996 | 0.74 | AURKA (0.46) | KMT2AMEN1ALDH1A1NPC1MAPT | |
| SCHEMBL26125104 | 0.74 | HTT (0.49) | HTTTSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL8840627 | 0.73 | MEN1 (0.39) | HTTTSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL8840626 | 0.73 | MEN1 (0.39) | HTTTSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL9846269 | 0.71 | ALDH1A1 (0.67) | HTTKMT2AMEN1ALDH1A1NPC1 | |
| SCHEMBL676675 | 0.71 | RECQL (0.51) | TSHRKMT2AMEN1ALDH1A1NPC1 | |
| SCHEMBL5941032 | 0.71 | HTT (0.67) | HTTTSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL8840619 | 0.70 | PRKACA (0.46) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119053587-A | 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents | 法国施维雅药厂 | 2024-11-29 | — | — | CN | disclosed |