Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 7/20 | 0.35 |
| ▸ | PFKFB2 | O60825 | 6/20 | 0.35 |
| ▸ | PFKFB1 | P16118 | 6/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13570423 | 0.76 | HDAC2 (0.43) | HTR2CHTR2BHDAC2CYP1A2CYP3A4 | |
| SCHEMBL6980125 | 0.72 | CYP3A4 (0.51) | HTR2CHTR2BHDAC2CYP1A2CYP3A4 | |
| SCHEMBL2172458 | 0.71 | HTR2C (0.55) | HTR2CHTR2BPFKFB3PFKFB2PFKFB1 | |
| Hydrochloric Acid SCHEMBL2169822 | 0.70 | HTR2C (0.54) | HTR2CHTR2BPFKFB3PFKFB2PFKFB1 | |
| SCHEMBL365270 | 0.69 | SCN9A (0.52) | HTR2CHTR2B | |
| SCHEMBL2171155 | 0.69 | SCN9A (0.52) | PDE4APDE4BPDE4CPDE4DCHRM2 | |
| SCHEMBL13570400 | 0.66 | TSHR (0.51) | HDAC2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2171149 | 0.66 | HTR2C (0.41) | HTR2CHTR2BPFKFB3PFKFB2PFKFB1 | |
| SCHEMBL13570515 | 0.65 | CYP3A4 (0.51) | HTR2CHTR2BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23373326 | 0.65 | PFKFB3 (0.58) | HTR2CHTR2BPFKFB3PFKFB2PFKFB1 |
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-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |