Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.84 |
| ▸ | POLB | P06746 | 1/20 | 0.84 |
| ▸ | PKM | P14618 | 1/20 | 0.84 |
| ▸ | MEN1 | O00255 | 3/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | DRD2 | P14416 | 2/20 | 0.76 |
| ▸ | DRD4 | P21917 | 2/20 | 0.76 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL22079937 | 0.94 | ALDH1A1 (0.76) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL29488461 | 0.86 | ALDH1A1 (0.77) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL21515338 | 0.86 | CHRM2 (0.74) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| Hydrochloric Acid SCHEMBL4221996 | 0.86 | ALDH1A1 (0.68) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL1545217 | 0.84 | SMN1; SMN2 (0.70) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL25391399 | 0.83 | SMN1; SMN2 (0.68) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL14202790 | 0.83 | SMN1; SMN2 (0.68) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL30253474 | 0.83 | SMN1; SMN2 (0.68) | ALDH1A1KDM4EPOLBPKMSMN1; SMN2 | |
| SCHEMBL342522 | 0.83 | SMN1; SMN2 (0.68) | ALDH1A1KDM4EPOLBPKMMEN1 | |
| SCHEMBL3089154 | 0.83 | SMN1; SMN2 (0.68) | ALDH1A1KDM4EPOLBPKMSMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-114394963-A | Isoxazoline compound, preparation method and application | 西北农林科技大学 | 2022-04-26 | — | — | CN | disclosed |