Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 4/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14916768 | 0.89 | ERN1 (0.51) | GSK3BERN1FGFR1KDRALDH1A1 | |
| SCHEMBL14930122 | 0.85 | ERN1 (0.59) | ERN1HPGDCDK1CDK2CDK9 | |
| SCHEMBL2569073 | 0.77 | ERN1 (0.50) | ERN1ADORA2BADORA2AALDH1A1HPGD | |
| SCHEMBL2564176 | 0.76 | ALDH1A1 (0.54) | ERN1ALDH1A1SMN1; SMN2HPGDLMNA | |
| SCHEMBL22840334 | 0.73 | ERN1 (0.37) | ERN1 | |
| SCHEMBL14930175 | 0.73 | ERN1 (0.54) | ERN1ALDH1A1HPGD | |
| SCHEMBL22840599 | 0.72 | LMNA (0.46) | ACHEALDH1A1SMN1; SMN2LMNATSHR | |
| SCHEMBL22840577 | 0.70 | CA12 (0.40) | GSK3BERN1ALDH1A1HPGDLMNA | |
| SCHEMBL14924961 | 0.69 | ERN1 (0.51) | ERN1ALDH1A1SMN1; SMN2HPGDKMT2A | |
| SCHEMBL21475689 | 0.68 | CHEK2 (0.37) | ERN1 |
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-110172051-A | IRE-1 alpha inhibitor | 复星弘创(苏州)医药科技有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-107082770-B | IRE-1 alpha inhibitor | 复星弘创(苏州)医药科技有限公司 | 2019-04-23 | — | — | CN | disclosed |