Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28214623 | 0.85 | CYP3A4 (0.55) | GAAMAPTTP53CYP3A4SMN1; SMN2 | |
| Ethylene Glycol SCHEMBL10718189 | 0.84 | CYP3A4 (0.57) | TP53CYP3A4SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL9168360 | 0.80 | PLA2G2A (0.71) | PLA2G2ATP53PLA2G4B | |
| 1,4-Butanediol SCHEMBL8846331 | 0.80 | NPC1 (0.55) | MAPTTP53CYP3A4SMN1; SMN2ALDH1A1 | |
| Methyl Alcohol SCHEMBL27399292 | 0.80 | CYP3A4 (0.61) | TP53CYP3A4SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL29944162 | 0.80 | CYP3A4 (0.65) | MAPTTP53CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL132541 | 0.80 | CYP3A4 (0.65) | MAPTTP53CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL9164759 | 0.79 | ESR1 (0.64) | MAPTPLA2G2AALDH1A1ESR1NPC1 | |
| SCHEMBL9169511 | 0.79 | ESR1 (0.64) | MAPTPLA2G2AALDH1A1ESR1NPC1 | |
| Octanol SCHEMBL28252891 | 0.79 | ALDH1A1 (0.54) | MAPTSMN1; SMN2ALDH1A1MEN1KMT2A |
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-115947663-A | Diamine monomer, polyimide material, preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-04-11 | — | — | CN | disclosed |