Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | USP1 | O94782 | 2/20 | 0.42 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29558517 | 0.90 | KDM4E (0.49) | APPUSP1WDR48KMT2ANTRK1 | |
| SCHEMBL29558521 | 0.89 | NTRK1 (0.45) | APPFLT1KDRKMT2ANTRK1 | |
| SCHEMBL29558516 | 0.87 | MAPT (0.45) | NPC1RAB9ASMN1; SMN2CTNNB1TCF7L2 | |
| SCHEMBL29559492 | 0.85 | FLT1 (0.56) | APPPDE5AEGFRFLT1KDR | |
| SCHEMBL29558267 | 0.85 | LMNA (0.56) | APPPDE5AEGFRFLT1KDR | |
| SCHEMBL29558864 | 0.82 | APP (0.63) | APPPDE5AEGFRUSP1WDR48 | |
| SCHEMBL29559506 | 0.82 | MEN1 (0.59) | APPPDE5AEGFRKMT2ASMN1; SMN2 | |
| SCHEMBL29558270 | 0.81 | APP (0.48) | APPPDE5AEGFRFLT1KDR | |
| SCHEMBL29558251 | 0.81 | MAPT (0.49) | APPUSP1WDR48KMT2ACTNNB1 | |
| SCHEMBL10198786 | 0.81 | MAPT (0.58) | APPPDE5AEGFRLMNATP53 |
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-114380753-A | Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof | 中国医学科学院药物研究所 | 2022-04-22 | — | — | CN | claimed |
| CN-114380753-A | Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof | 中国医学科学院药物研究所 | 2022-04-22 | — | — | CN | disclosed |