Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043371 | 0.84 | ESR1 (0.43) | ALDH1A1CYP1A2CYP2C19RAB9APRCP | |
| SCHEMBL28043608 | 0.82 | OPRM1 (0.43) | ALDH1A1LMNAHPGDRAB9AKMT2A | |
| SCHEMBL28587854 | 0.78 | HTR3A (0.41) | HTR3AALDH1A1SIGMAR1HTR3EHTR3B | |
| SCHEMBL28824434 | 0.77 | HDAC3 (0.40) | HTR3AALDH1A1SIGMAR1HTR3EHTR3B | |
| SCHEMBL28621839 | 0.77 | HTR3A (0.40) | HTR3ASIGMAR1HTR3EHTR3BHTR5A | |
| SCHEMBL30101927 | 0.77 | HTR3A (0.40) | HTR3ASIGMAR1HTR3EHTR3BHTR5A | |
| SCHEMBL2088764 | 0.74 | PRCP (0.54) | SIGMAR1PRCPDRD4DRD1 | |
| SCHEMBL12233898 | 0.74 | PRCP (0.54) | SIGMAR1PRCPDRD4DRD1 | |
| SCHEMBL28043372 | 0.73 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDMEN1KMT2A | |
| SCHEMBL28313486 | 0.69 | ESR1 (0.65) | DRD4DRD1 |
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-105153029-A | Method for synthesizing isoquinoline ketone compounds | UNIV SHAANXI NORMAL | 2015-12-16 | — | — | CN | disclosed |