Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4889157 | 0.85 | CXCR4 (0.46) | CXCR4HDAC1HDAC6ADORA2A | |
| SCHEMBL4885422 | 0.80 | CXCR4 (0.49) | CXCR4HDAC1HDAC6ADORA2A | |
| SCHEMBL5241314 | 0.76 | CXCR4 (0.41) | CXCR4HDAC1HDAC6ADORA2ACHRM2 | |
| Trifluoroacetic Acid SCHEMBL4889301 | 0.74 | CXCR4 (0.44) | CXCR4HDAC1HDAC6 | |
| SCHEMBL4885774 | 0.69 | CXCR4 (0.47) | CXCR4HDAC1HDAC6 | |
| SCHEMBL14130832 | 0.69 | LMNA (0.57) | CXCR4HDAC1HDAC6 | |
| SCHEMBL5543919 | 0.67 | CXCR4 (0.44) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL4878573 | 0.65 | HTR6 (0.51) | CXCR4HDAC1HDAC6CHRM2CHRM4 | |
| SCHEMBL3373812 | 0.65 | CXCR4 (0.56) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL4889183 | 0.65 | CXCR4 (0.61) | CXCR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | WO | disclosed |