Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29090388 | 0.83 | ATR (0.43) | ATRAAK1ALDH1A1GAALCK | |
| SCHEMBL459443 | 0.79 | ABCG2 (0.51) | ATRAAK1ALDH1A1GAAKDM4E | |
| SCHEMBL19032231 | 0.79 | ALDH1A1 (0.58) | ATRAAK1ALDH1A1GAARXFP1 | |
| SCHEMBL31012013 | 0.79 | ALDH1A1 (0.58) | ATRAAK1ALDH1A1GAARXFP1 | |
| SCHEMBL31303022 | 0.76 | ATR (0.43) | ATRAAK1ALDH1A1GAARXFP1 | |
| SCHEMBL20551781 | 0.75 | KDM4E (0.46) | ATRALDH1A1GAAKDM4E | |
| SCHEMBL30938988 | 0.75 | ALDH1A1 (0.36) | ATRALDH1A1KDM4ENOTUMNPC1 | |
| SCHEMBL21591921 | 0.75 | ATR (0.43) | ATRAAK1LCKRXFP1KDM4E | |
| SCHEMBL21509656 | 0.73 | NR4A2 (0.38) | ALDH1A1GAAKDM4ENOTUM | |
| SCHEMBL11303925 | 0.73 | KDM4E (0.46) | ATRALDH1A1GAALCKKDM4E |
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-116731038-A | Nitrogen-containing heterocyclic compound, and preparation method and application thereof | 苏州亚盛药业有限公司 | 2023-09-12 | — | — | CN | disclosed |