Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16799589 | 0.72 | GRIN1 (0.47) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B | |
| SCHEMBL19479822 | 0.70 | GRIN1 (0.63) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B | |
| SCHEMBL19992375 | 0.70 | GRIN1 (0.63) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B | |
| SCHEMBL16801016 | 0.69 | TAAR1 (0.36) | TAAR1HSD11B1 | |
| SCHEMBL16879814 | 0.69 | GRIN1 (0.40) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B | |
| SCHEMBL16880299 | 0.68 | ALDH1A1 (0.39) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B | |
| SCHEMBL4329065 | 0.67 | CYP19A1 (0.32) | — | |
| SCHEMBL16799023 | 0.65 | GRIN1 (0.38) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B | |
| SCHEMBL31668779 | 0.65 | MAOA (0.41) | LMNAHSD11B1 | |
| SCHEMBL5897472 | 0.65 | TAAR1 (0.44) | GRIN1GRIN2ASLC6A4GRIN2DGRIN3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |