Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.35 |
| ▸ | USP1 | O94782 | 1/20 | 0.34 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13680765 | 0.78 | CD274 (0.36) | CD274PDCD1LG2IKBKBNFKB1ALDH1A1 | |
| SCHEMBL13680761 | 0.76 | ACHE (0.44) | ACHEKDM1ACCR1CCR5CCR8 | |
| SCHEMBL13680766 | 0.71 | CHEK1 (0.40) | ACHENFKB1NPC1RAB9AADORA1 | |
| SCHEMBL6181642 | 0.69 | CCR1 (0.53) | CCR1CCR5CCR8NPC1RAB9A | |
| SCHEMBL780412 | 0.65 | ACHE (0.50) | ACHEALDH1A1MAPT | |
| SCHEMBL1238870 | 0.65 | ACHE (0.50) | ACHEALDH1A1MAPT | |
| SCHEMBL3350656 | 0.65 | ACHE (0.50) | ACHEALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL16322028 | 0.63 | ACHE (0.48) | ACHEALDH1A1MAPTIDO1 | |
| Hydrochloric Acid SCHEMBL5777749 | 0.63 | ACHE (0.48) | ACHEALDH1A1MAPTIDO1 | |
| SCHEMBL3422110 | 0.63 | IDO1 (0.58) | ACHEKDM1ANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |