Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1681771 | 0.73 | PTGS2 (0.65) | BCAT2PTGS2PTPRC | |
| SCHEMBL3358969 | 0.73 | BCAT2 (0.48) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| SCHEMBL544047 | 0.71 | BCAT2 (0.52) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| SCHEMBL2198638 | 0.71 | BCAT2 (0.52) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| SCHEMBL2779268 | 0.71 | BCAT2 (0.47) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| SCHEMBL8649337 | 0.71 | CYP2A6 (0.60) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| SCHEMBL18746178 | 0.71 | BCAT2 (0.47) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| SCHEMBL2782853 | 0.71 | PTGS2 (0.68) | BCAT2PTGS2 | |
| SCHEMBL920653 | 0.71 | BCAT2 (0.47) | BCAT2PTGS2PDPK1BACE1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28994523 | 0.71 | PTGS2 (0.62) | BCAT2PTGS2PTPRC |
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-4092306-A | Oxidation of hydrazones to the corresponding diazo compounds in the presence of a phase transfer and an oxidation catalyst which is iodine, an iodide or an iodonium salt | GLAXO LABORATORIES LIMITED (EN) | 1978-05-30 | — | — | US | disclosed |