Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.75 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | FBP1 | P09467 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL439935 | 0.89 | APP (0.64) | ACHEHSD17B10APPFBP1MAPT | |
| SCHEMBL5514260 | 0.88 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| SCHEMBL17589690 | 0.88 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| SCHEMBL2681912 | 0.88 | ACHE (0.75) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| 4-Nitrotoluene SCHEMBL73252 | 0.87 | ACHE (1.00) | ACHEHSD17B10MAOAMAOBMAPT | |
| 4-Nitrotoluene SCHEMBL2484690 | 0.87 | ACHE (1.00) | ACHEHSD17B10MAOAMAOBMAPT | |
| 4-Nitrotoluene SCHEMBL8526838 | 0.86 | ACHE (0.72) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| SCHEMBL8068948 | 0.86 | ACHE (0.72) | ACHEHSD17B10MAOAMAOBNFE2L2 | |
| 4-Nitrotoluene SCHEMBL6751959 | 0.84 | ACHE (0.95) | ACHEHSD17B10MAOAMAOBRAB9A | |
| 4-Nitrotoluene SCHEMBL9734611 | 0.84 | ACHE (0.95) | ACHEHSD17B10MAOAMAOBRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0816339-B1 | Process for the preparation of (+-)2-Azabicyclo[2.2.1]hept-5-en-3-one | DEGUSSA (DE) | 2002-01-16 | — | — | EP | disclosed |