Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SULT1A1 | P50225 | 4/20 | 0.53 |
| ▸ | APP | P05067 | 8/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2549277 | 1.00 | SULT1A1 (0.53) | SULT1A1APPSMN1; SMN2MAPTNPC1 | |
| SCHEMBL19072456 | 0.82 | SULT1A1 (0.44) | SULT1A1APPMAPTCLK1DYRK1A | |
| SCHEMBL14916518 | 0.77 | CA12 (0.46) | SMN1; SMN2MAPTNPC1TP53RAB9A | |
| SCHEMBL14157073 | 0.77 | APP (0.68) | SULT1A1APPSMN1; SMN2MAPTNPC1 | |
| SCHEMBL14925266 | 0.75 | CLK1 (0.56) | SULT1A1APPSMN1; SMN2MAPTTP53 | |
| SCHEMBL18475959 | 0.75 | ACHE (0.72) | SMN1; SMN2MAPTNPC1TP53RAB9A | |
| SCHEMBL5423269 | 0.74 | APP (0.81) | SULT1A1APPSMN1; SMN2MAPTNPC1 | |
| SCHEMBL4512023 | 0.73 | NPC1 (0.76) | SMN1; SMN2MAPTNPC1TP53RAB9A | |
| SCHEMBL10722678 | 0.72 | ACHE (0.82) | SMN1; SMN2MAPTNPC1TP53RAB9A | |
| SCHEMBL11887840 | 0.72 | KDM4E (0.78) | SULT1A1APPSMN1; SMN2MAPTNPC1 |
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-110172051-B | IRE-1 alpha inhibitors | 复星弘创(苏州)医药科技有限公司 | 2023-03-07 | — | — | CN | disclosed |