Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | SMO | Q99835 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 2/20 | 0.35 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | STK4 | Q13043 | 1/20 | 0.33 |
| ▸ | STK3 | Q13188 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL30911597 | 0.91 | IRAK4 (0.41) | IRAK4SMOATRCHEK1ABL1 | |
| SCHEMBL30911502 | 0.86 | ALDH1A1 (0.33) | IRAK4ATRHTTGPR6PIK3CA | |
| SCHEMBL30911509 | 0.84 | IRAK4 (0.41) | IRAK4PIK3CA | |
| SCHEMBL30911543 | 0.82 | IRAK4 (0.42) | IRAK4SMARCA2SMARCA4PBRM1LMNA | |
| SCHEMBL31262524 | 0.82 | IRAK4 (0.42) | IRAK4SMARCA2SMARCA4PBRM1LMNA | |
| SCHEMBL30911690 | 0.81 | IRAK4 (0.43) | IRAK4ATRHTTGPR6PIK3CA | |
| SCHEMBL30911592 | 0.81 | ATR (0.40) | IRAK4ATRATRIPGPR6PIK3CA | |
| SCHEMBL31262618 | 0.81 | IRAK4 (0.34) | IRAK4ATRATRIPGPR6KCNH2 | |
| SCHEMBL30911583 | 0.81 | ATR (0.38) | ATRATRIPHTTGPR6PIK3CA | |
| SCHEMBL31262589 | 0.81 | KDM4E (0.39) | IRAK4HTTGPR6PIK3CAKCNH2 |
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-117980297-A | Substituted aminopyridine compounds as EGFR inhibitors | 柳韩洋行 | 2024-05-03 | — | — | CN | disclosed |