Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4038116 | 0.87 | L3MBTL1 (0.40) | ALDH1A1L3MBTL1TRPA1KCNH2 | |
| SCHEMBL2084784 | 0.82 | L3MBTL1 (0.50) | ALDH1A1L3MBTL1 | |
| SCHEMBL31256712 | 0.76 | MAOA (0.44) | ALDH1A1MAOAMAOBNISCHNR3C2 | |
| SCHEMBL4030524 | 0.75 | MAOA (0.41) | ALDH1A1MAOAMAOBNISCHNR3C2 | |
| SCHEMBL360470 | 0.73 | L3MBTL1 (0.61) | ALDH1A1L3MBTL1 | |
| SCHEMBL29593270 | 0.73 | L3MBTL1 (0.61) | ALDH1A1L3MBTL1 | |
| SCHEMBL5115647 | 0.72 | L3MBTL1 (0.55) | ALDH1A1L3MBTL1TAAR1 | |
| Lactic Acid SCHEMBL27950727 | 0.72 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1 | |
| SCHEMBL4033857 | 0.72 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1TRPA1MAOAMAOB | |
| Hydrochloric Acid SCHEMBL1852816 | 0.72 | L3MBTL1 (0.59) | ALDH1A1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |