Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.41 |
| ▸ | HTR3B | O95264 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20385169 | 0.89 | SIGMAR1 (0.44) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL20385090 | 0.85 | SIGMAR1 (0.42) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL20385118 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20385124 | 0.81 | GRIN2D (0.53) | ALDH1A1SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20385168 | 0.79 | SIGMAR1 (0.40) | ALDH1A1SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20385093 | 0.76 | HDAC1 (0.41) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL20385172 | 0.75 | CYP1A2 (0.50) | ALDH1A1SIGMAR1CYP1A2HPGDCYP2C19 | |
| SCHEMBL20385119 | 0.72 | CYP1A2 (0.47) | ALDH1A1SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20385091 | 0.71 | SIGMAR1 (0.38) | ALDH1A1SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20385167 | 0.70 | HDAC1 (0.61) | ALDH1A1HDAC1HDAC3RORCHDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2867215-B1 | TETRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS | SANIONA AS (DK) | 2018-07-18 | — | — | EP | disclosed |