Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Malonaldehyde SCHEMBL4014033 | 1.00 | TP53 (0.40) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| Propionaldehyde SCHEMBL28220762 | 0.82 | TDP1 (0.53) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL31243338 | 0.81 | ALDH1A1 (0.46) | TDP1LMNAPTGS1PTGS2GRIK1 | |
| SCHEMBL27651305 | 0.80 | — | — | |
| SCHEMBL9040306 | 0.80 | TP53 (0.38) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL6899221 | 0.80 | GABRR1 (0.44) | TP53GABRR1SLC7A5TDP1LMNA | |
| Acetaldehyde SCHEMBL8145563 | 0.78 | TP53 (0.47) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| Formic Acid SCHEMBL9619050 | 0.78 | TP53 (0.47) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| Formic Acid SCHEMBL9619062 | 0.78 | TP53 (0.47) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL11267658 | 0.78 | TP53 (0.47) | TP53GABRR1SLC7A5RNPEPCYP1A2 |
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-1103584-B1 | Ink compositions containing malonaldehyde bis (dimethylacetal) | XEROX CORP (US) | 2003-10-29 | — | — | EP | disclosed |