Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20958028 | 0.99 | ALDH1A1 (0.48) | ALDH1A1MAPTHCAR3KMT2ABCHE | |
| SCHEMBL2700060 | 0.99 | ALDH1A1 (0.48) | ALDH1A1MAPTHCAR3KMT2ABCHE | |
| SCHEMBL29583328 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTHCAR3KMT2ACA1 | |
| SCHEMBL11901719 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTHCAR3KMT2ACA1 | |
| SCHEMBL932480 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTHCAR3KMT2ACA1 | |
| SCHEMBL19124187 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTHCAR3KMT2ACA1 | |
| SCHEMBL21046043 | 0.81 | CLPP (0.44) | ALDH1A1MAPTHCAR3KMT2ASMN1; SMN2 | |
| SCHEMBL21046042 | 0.81 | CLPP (0.44) | ALDH1A1MAPTHCAR3KMT2ASMN1; SMN2 | |
| SCHEMBL15790586 | 0.81 | CLPP (0.44) | ALDH1A1MAPTHCAR3KMT2ASMN1; SMN2 | |
| SCHEMBL29443275 | 0.81 | CLPP (0.44) | ALDH1A1MAPTHCAR3KMT2ASMN1; SMN2 |
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-3599246-A1 | MEANS AND METHODS FOR SYNTHESIZING PRECURSORS OF Y-AMINOBUTYRIC ACID (GABA) ANALOGS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-01-29 | — | — | EP | disclosed |