Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.56 |
| ▸ | HTR6 | P50406 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 3/20 | 0.49 |
| ▸ | HTR3A | P46098 | 3/20 | 0.49 |
| ▸ | HTR5A | P47898 | 2/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.49 |
| ▸ | HTR3B | O95264 | 2/20 | 0.49 |
| ▸ | HTR1D | P28221 | 2/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21291592 | 1.00 | ADRB1 (0.56) | ADRB1HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL21291588 | 0.84 | KDM4E (0.43) | ADRB1HTR6ALDH1A1KDM4EHPGD | |
| SCHEMBL30516370 | 0.84 | KDM4E (0.43) | ADRB1HTR6ALDH1A1KDM4EHPGD | |
| SCHEMBL4173685 | 0.78 | HTR6 (0.56) | ADRB1HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL21301978 | 0.76 | GOT1 (0.45) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL6607018 | 0.74 | HTR6 (0.53) | ADRB1HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL6609224 | 0.74 | HTR6 (0.53) | ADRB1HTR6ALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL6730585 | 0.74 | ADRB1 (0.97) | ADRB1HTR6ALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL4662618 | 0.74 | ADRB1 (0.97) | ADRB1HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL4675523 | 0.74 | HTR6 (0.67) | ADRB1HTR6ALDH1A1KDM4ELMNA |
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-112041300-B | Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists | 阿达梅德制药公司 | 2023-07-28 | — | — | CN | disclosed |