Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPN | P05981 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13250544 | 0.97 | CXCR4 (0.55) | CXCR4LMNAPOLBCHRM2CHRM1 | |
| SCHEMBL13250543 | 0.94 | CXCR4 (0.50) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250522 | 0.91 | CXCR4 (0.46) | CXCR4LMNAPOLBCHRM2CHRM1 | |
| SCHEMBL13250519 | 0.86 | CXCR4 (0.43) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250547 | 0.85 | CXCR4 (0.50) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250545 | 0.85 | CXCR4 (0.48) | CXCR4LMNACHRM2CHRM1ADRA2C | |
| SCHEMBL13250546 | 0.85 | CXCR4 (0.48) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250549 | 0.82 | CXCR4 (0.62) | CXCR4LMNAPOLBCHRM2CHRM1 | |
| SCHEMBL13250527 | 0.80 | ALDH1A1 (0.47) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250526 | 0.80 | SMN1; SMN2 (0.44) | CXCR4CHRM2CHRM1ADRA2CMEN1 |
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-2163553-A1 | ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | Beijing Molecule Science and Technology Co., Ltd. (CN) | 2010-03-17 | — | — | EP | disclosed |