Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 9/20 | 0.37 |
| ▸ | HTR2A | P28223 | 6/20 | 0.37 |
| ▸ | HTR2B | P41595 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27744236 | 0.79 | OPRM1 (0.38) | — | |
| SCHEMBL1012668 | 0.76 | MC4R (0.41) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL11076879 | 0.76 | HTR3E (0.41) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL653537 | 0.76 | MC4R (0.41) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL27613840 | 0.74 | HTR3E (0.45) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL653307 | 0.73 | HTR3A (0.50) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL335933 | 0.73 | HTR3A (0.50) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL653028 | 0.73 | HTR3A (0.50) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| SCHEMBL656202 | 0.73 | SLC6A2 (0.44) | ADRB1ALDH1A1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL27810023 | 0.73 | CHRM2 (0.38) | CYP2D6 |
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-101466728-A | HCV inhibitors comprising beta amino acids and their uses | NOVARTIS AG (CH) | 2009-06-24 | — | — | CN | disclosed |