Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | FABP1 | P07148 | 1/20 | 0.42 |
| ▸ | FABP6 | P51161 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23910649 | 0.78 | MEN1 (0.37) | CYP2C19CYP1A2DRD2ADRA1ARAB9A | |
| SCHEMBL6027182 | 0.78 | NPSR1 (0.41) | POLBNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL2599179 | 0.78 | MAPT (0.44) | ALDH1A1L3MBTL1 | |
| SCHEMBL3647775 | 0.77 | POLB (0.60) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL29980727 | 0.77 | POLB (0.60) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL15205661 | 0.77 | ATM (0.43) | NPC1RAB9AGAATSHRKDM4E | |
| SCHEMBL1644705 | 0.77 | ALDH1A1 (0.38) | CYP2C19CYP1A2GAATSHRKDM4E | |
| SCHEMBL4647621 | 0.75 | CYP1A2 (0.38) | CYP2C19CYP1A2ADRA1AALDH1A1CYP2D6 | |
| SCHEMBL13628532 | 0.74 | CYP2C19 (0.56) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL6300639 | 0.74 | FABP1 (0.52) | CXCR4FABP1FABP6POLBNPC1 |
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 |