Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | EBP | Q15125 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19129470 | 0.87 | TAAR1 (0.58) | TAAR1SIGMAR1AOC3KDM4EMEN1 | |
| SCHEMBL19333385 | 0.85 | SIGMAR1 (0.47) | TAAR1SIGMAR1AOC3EBPKDM4E | |
| SCHEMBL14065247 | 0.80 | TAAR1 (0.50) | TAAR1SIGMAR1AOC3 | |
| SCHEMBL26239740 | 0.79 | AOC3 (0.56) | TAAR1SIGMAR1AOC3KDM4E | |
| SCHEMBL9114952 | 0.79 | ALDH1A1 (0.49) | TAAR1SIGMAR1AOC3KDM4ENPSR1 | |
| SCHEMBL28948757 | 0.78 | TAAR1 (0.44) | TAAR1SIGMAR1AOC3EBPKDM4E | |
| SCHEMBL14064920 | 0.77 | AOC3 (0.62) | TAAR1SIGMAR1AOC3KDM4E | |
| SCHEMBL8828293 | 0.76 | MAOA (0.50) | TAAR1SIGMAR1AOC3 | |
| SCHEMBL15307304 | 0.75 | TAAR1 (0.48) | TAAR1SIGMAR1AOC3FDPSMEN1 | |
| SCHEMBL13153419 | 0.74 | TAAR1 (0.52) | TAAR1SIGMAR1AOC3KDM4EMEN1 |
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-9765091-B2 | Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMA S.A. (CH) | 2017-09-19 | — | — | US | disclosed |