Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | FBP1 | P09467 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL8526838 | 1.00 | ACHE (0.72) | ACHEHSD17B10CYP2A6MAOAMAOB | |
| SCHEMBL1157 | 0.89 | APP (0.61) | ACHEHSD17B10APPFBP1MAPT | |
| SCHEMBL28981615 | 0.87 | APP (0.59) | ACHEHSD17B10APPFBP1MAPT | |
| Ammonia Solution, Strong SCHEMBL28564961 | 0.87 | APP (0.59) | ACHEHSD17B10APPFBP1MAPT | |
| Hydrochloric Acid SCHEMBL29016137 | 0.87 | APP (0.59) | ACHEHSD17B10APPFBP1MAPT | |
| SCHEMBL5514260 | 0.86 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| SCHEMBL17589690 | 0.86 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| SCHEMBL2681912 | 0.86 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| SCHEMBL7525934 | 0.86 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| Hydrazine SCHEMBL9322622 | 0.85 | APP (0.57) | ACHEHSD17B10APPFBP1MAPT |
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-6028182-A | Methylphosphonic acid esters, processes for their preparation, and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-22 | — | — | US | disclosed |