Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28813572 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL27629206 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL251540 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL4296258 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL29970179 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL9352993 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL437832 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL88416 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL9737939 | 0.76 | SMN1; SMN2 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL28262784 | 0.75 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114287075-A | Conductive composition for secondary battery | 广东省皓智科技有限公司 | 2022-04-05 | — | — | CN | disclosed |
| EP-0976723-A2 | A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition | Daicel Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |