Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7446683 | 0.82 | HTR1A (0.32) | — | |
| SCHEMBL10992158 | 0.82 | IDO1 (0.33) | IDO1 | |
| SCHEMBL7431643 | 0.82 | HTR4 (0.32) | HTR4 | |
| SCHEMBL10993826 | 0.81 | BACE1 (0.32) | SLC6A4SLC6A2 | |
| SCHEMBL10996604 | 0.76 | SIGMAR1 (0.35) | SLC6A4SLC6A2 | |
| SCHEMBL10992177 | 0.76 | SMN1; SMN2 (0.35) | ALDH1A1IDO1 | |
| SCHEMBL10992228 | 0.75 | SLC6A2 (0.40) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL10992659 | 0.73 | SLC6A2 (0.37) | CYP1A2SLC6A4SLC6A2 | |
| SCHEMBL10991101 | 0.73 | SLC6A2 (0.37) | CYP1A2SLC6A4SLC6A2 | |
| SCHEMBL10989799 | 0.73 | IDO1 (0.34) | ALDH1A1IDO1 |
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-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |