Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10157089 | 0.85 | TSPO (0.42) | PTGESALOX5LTC4SPDK1GAA | |
| SCHEMBL25920399 | 0.82 | CHRM2 (0.43) | PTGESALOX5LTC4SPDK1ALDH1A1 | |
| SCHEMBL3336342 | 0.82 | GAA (0.50) | PDK1GAATSHRALDH1A1NPC1 | |
| SCHEMBL10157007 | 0.80 | TSHR (0.40) | PTGESALOX5LTC4SPDK1GAA | |
| SCHEMBL27480557 | 0.79 | ALDH1A1 (0.48) | PTGESALOX5PDK1ALDH1A1NPC1 | |
| SCHEMBL25920678 | 0.79 | ALDH1A1 (0.48) | PTGESALOX5PDK1ALDH1A1NPC1 | |
| SCHEMBL14944354 | 0.79 | JMJD6 (0.41) | PTGESALOX5LTC4SPDK1GAA | |
| SCHEMBL25920400 | 0.77 | RAB9A (0.53) | ALDH1A1NPC1HTTRAB9APAX8 | |
| SCHEMBL3331879 | 0.74 | GAA (0.61) | PDK1GAATSHRALDH1A1NPC1 | |
| SCHEMBL3331616 | 0.74 | SMN1; SMN2 (0.50) | PDK1GAATSHRALDH1A1NPC1 |
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-2012052390-A1 | N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | WO | disclosed |