Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.41 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039768 | 1.00 | ADORA2A (0.48) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL9039048 | 1.00 | ADORA2A (0.48) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL9041739 | 1.00 | ADORA2A (0.48) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL9037728 | 1.00 | ADORA2A (0.48) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL24476506 | 0.86 | ADORA2A (0.38) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL28649295 | 0.86 | ADORA2A (0.38) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL5444381 | 0.84 | ADORA2A (0.39) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL9039047 | 0.83 | ADORA2A (0.48) | ADORA2AALDH1A1TDP1KMT2ATLR8 | |
| SCHEMBL24476483 | 0.80 | AMPD1 (0.42) | — | |
| SCHEMBL28669450 | 0.80 | ADORA2A (0.40) | ADORA2AALDH1A1KMT2AGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0262343-B1 | N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions | PUETTER MEDICE CHEM PHARM (DE) | 1996-01-03 | — | — | EP | disclosed |
| US-4999435-A | Cationic Surfactants, Drugs, Immunoassay | MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) | 1991-03-12 | — | — | US | disclosed |
| US-4870174-A | CATIONIC SURFACTANTS, SMALL CRITICAL MICELLE CONCENTRATIONS | MEDICE CHEM.-PHARM. FABRIK (DE) | 1989-09-26 | — | — | US | disclosed |