Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFSF11 | O14788 | 1/20 | 0.49 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30716530 | 0.86 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2HPGDGLA | |
| SCHEMBL2322922 | 0.86 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2HPGDGLA | |
| SCHEMBL28313260 | 0.78 | ALDH1A1 (0.55) | TSHRCA12CA9ALDH1A1KDM4E | |
| SCHEMBL28198407 | 0.77 | ALDH1A1 (0.55) | TSHRALDH1A1KDM4EHPGDGLA | |
| SCHEMBL27973464 | 0.76 | KDM4E (0.44) | AMY1ACA12CA9ALDH1A1KDM4E | |
| SCHEMBL3968464 | 0.76 | PGK1 (0.46) | ALDH1A1KDM4ESMN1; SMN2GAAMAPT | |
| Methylamine SCHEMBL28314032 | 0.75 | ALDH1A1 (0.53) | TSHRCA12CA9ALDH1A1KDM4E | |
| SCHEMBL27956203 | 0.75 | KDM4E (0.46) | CA12CA9ALDH1A1KDM4EHPGD | |
| SCHEMBL30908324 | 0.74 | NQO2 (0.44) | AMY1AALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL27597859 | 0.74 | HSD17B1 (0.50) | TSHRALDH1A1KDM4EHPGDGLA |
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-114907261-B | 2-phenylaminoquinoline derivative, preparation method and application thereof | 湖南中医药大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-114907261-A | 2-phenylamino quinoline derivative and preparation method and application thereof | 湖南中医药大学 | 2022-08-16 | — | — | CN | disclosed |