Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Formamide SCHEMBL16969080 | 0.93 | APP (0.46) | APPGABRA1GABRB2ALOX5ADORA3 | |
| SCHEMBL28149290 | 0.84 | APP (0.64) | APPGABRA1GABRB2ALOX5TRPA1 | |
| SCHEMBL2866344 | 0.77 | ANPEP (0.48) | GABRA1GABRB2MAPTALDH1A1GAA | |
| SCHEMBL4529434 | 0.75 | GABRA1 (0.50) | GABRA1GABRB2ANPEPDPP4 | |
| SCHEMBL983104 | 0.75 | GABRA1 (0.48) | GABRA1GABRB2AKR1B1PTPN5ALDH1A1 | |
| Phenol SCHEMBL28331751 | 0.75 | PDCD1 (0.47) | GABRA1GABRB2PTPN5ALDH1A1DPP4 | |
| SCHEMBL2870900 | 0.75 | ANPEP (0.49) | GABRA1GABRB2ALOX5MAPTANPEP | |
| SCHEMBL9199035 | 0.75 | AKR1B1 (0.60) | APPGABRA1GABRB2ALOX5AKR1B1 | |
| SCHEMBL473270 | 0.74 | PDCD1 (0.50) | GABRA1GABRB2PTPN5DPP4 | |
| SCHEMBL5587368 | 0.74 | GABRA1 (0.52) | GABRA1GABRB2TRPA1ALDH1A1ANPEP |
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 |
|---|---|---|---|---|---|---|---|
| CN-104334525-B | catechol O-methyltransferase activity inhibiting compounds | 奥赖恩公司 | 2017-05-10 | — | — | CN | disclosed |