Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | HTR7 | P34969 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4558789 | 0.86 | SLC6A2 (0.48) | HTR3EHTR3BADRB1DRD2CYP2C19 | |
| SCHEMBL7289950 | 0.85 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4559300 | 0.84 | SLC6A4 (0.42) | HTR3EHTR3BADRB1DRD2CYP2C19 | |
| SCHEMBL2330982 | 0.81 | ADRB1 (0.44) | ADRB1HTR3ASLC6A2SLC6A4CYP2D6 | |
| SCHEMBL11839058 | 0.81 | ADRB1 (0.44) | ADRB1HTR3ASLC6A2SLC6A4CYP2D6 | |
| SCHEMBL7289698 | 0.78 | RXFP1 (0.44) | HTR3EHTR3BADRB1DRD2CYP2C19 | |
| SCHEMBL11850354 | 0.77 | PKM (0.46) | OPRD1 | |
| SCHEMBL7279547 | 0.77 | PKM (0.46) | OPRD1 | |
| SCHEMBL7288846 | 0.76 | CHRM2 (0.55) | HTR3EHTR3BADRB1CYP2C19HTR3A | |
| SCHEMBL7282505 | 0.74 | TSHR (0.59) | ADRB1DRD2CYP2C19DRD3SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-3987036-A | ACYLATION, CORONARY VASODILATORS | CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) | 1976-10-19 | — | — | US | disclosed |