Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064147 | 0.79 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1TRPA1KMT2AMAOA | |
| SCHEMBL2084128 | 0.78 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1KMT2ANISCHKDM4E | |
| SCHEMBL4030522 | 0.74 | TAAR1 (0.45) | KMT2AMAOAMAOBNISCHKDM4E | |
| SCHEMBL4033855 | 0.73 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1CYP2D6NR3C2 | |
| SCHEMBL24313207 | 0.73 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1KDM4ENPC1RAB9A | |
| SCHEMBL4033860 | 0.72 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1TRPA1MAOAMAOB | |
| SCHEMBL8973031 | 0.71 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1KMT2AKDM4ENPC1 | |
| SCHEMBL28115795 | 0.71 | TAAR1 (0.52) | TRPA1MAOATAAR1SIGMAR1SLC18A2 | |
| SCHEMBL1868728 | 0.71 | TSHR (0.64) | TRPA1MAOATAAR1SIGMAR1SLC18A2 | |
| SCHEMBL6547009 | 0.70 | SIGMAR1 (0.52) | TRPA1KMT2AMAOATAAR1SIGMAR1 |
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 |