Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL85479 | 0.98 | FDPS (0.53) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL28673545 | 0.90 | CYP2C19 (0.47) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL19581183 | 0.84 | KDM4E (0.43) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL19581187 | 0.84 | KDM4E (0.43) | FDPSMEN1MAPK10GFERKMT2A | |
| Dichloroacetic Acid SCHEMBL10510997 | 0.82 | POLB (0.51) | FDPSMEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL24567486 | 0.81 | FDPS (0.50) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL9641327 | 0.81 | FDPS (0.50) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL3644137 | 0.81 | FDPS (0.55) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL25083172 | 0.81 | FDPS (0.50) | FDPSMEN1MAPK10GFERKMT2A | |
| SCHEMBL17700093 | 0.81 | FDPS (0.50) | FDPSMEN1MAPK10GFERKMT2A |
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 |