Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | FABP1 | P07148 | 1/20 | 0.47 |
| ▸ | FABP6 | P51161 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064702 | 0.83 | ALDH1A1 (0.41) | CXCR4TP53KDM4ENPSR1ALDH1A1 | |
| SCHEMBL14129593 | 0.83 | ALDH1A1 (0.41) | CXCR4TP53KDM4ENPSR1ALDH1A1 | |
| Bromide SCHEMBL5141067 | 0.83 | CXCR4 (0.41) | CXCR4TP53KDM4ENPSR1ALDH1A1 | |
| SCHEMBL4064150 | 0.72 | TSHR (0.38) | CXCR4TSHRNPSR1HDAC1ALDH1A1 | |
| SCHEMBL29351380 | 0.71 | CXCR4 (1.00) | CXCR4FABP1FABP6NPC1RAB9A | |
| SCHEMBL589266 | 0.71 | CXCR4 (1.00) | CXCR4FABP1FABP6NPC1RAB9A | |
| SCHEMBL6518771 | 0.71 | CXCR4 (0.52) | CXCR4 | |
| SCHEMBL29580306 | 0.70 | CXCR4 (0.82) | CXCR4FABP1FABP6NPC1RAB9A | |
| SCHEMBL19868462 | 0.70 | CXCR4 (0.82) | CXCR4FABP1FABP6NPC1RAB9A | |
| SCHEMBL4066161 | 0.68 | HDAC1 (0.63) | CXCR4FABP1FABP6NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |