Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16899462 | 0.83 | KDM4E (0.54) | ALDH1A1GAARXFP1KDM4ENOTUM | |
| SCHEMBL29090416 | 0.83 | ATR (0.41) | ATRLCKALDH1A1GAAAAK1 | |
| SCHEMBL459443 | 0.82 | ABCG2 (0.51) | ATRALDH1A1GAAAAK1KDM4E | |
| SCHEMBL31012013 | 0.82 | ALDH1A1 (0.58) | ATRALDH1A1GAAAAK1RXFP1 | |
| SCHEMBL19032231 | 0.82 | ALDH1A1 (0.58) | ATRALDH1A1GAAAAK1RXFP1 | |
| SCHEMBL16899382 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAARXFP1KDM4ESMN1; SMN2 | |
| SCHEMBL16899348 | 0.81 | KDM4E (0.39) | ALDH1A1GAARXFP1KDM4ENOTUM | |
| SCHEMBL13276862 | 0.80 | BTK (0.40) | GAA | |
| SCHEMBL15732184 | 0.80 | BTK (0.40) | GAA | |
| SCHEMBL16899359 | 0.80 | HTT (0.41) | ALDH1A1GAAKDM4ERECQLRAB9A |
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 |