Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.35 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.35 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.35 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.35 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.35 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.35 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.35 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.35 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 4/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL14635622 | 0.81 | CYP3A4 (0.44) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| SCHEMBL26959998 | 0.79 | CYP3A4 (0.43) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| SCHEMBL31621544 | 0.78 | CYP3A4 (0.40) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL26914890 | 0.78 | CYP3A4 (0.43) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| SCHEMBL24602646 | 0.78 | CYP3A4 (0.40) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL26631617 | 0.77 | CYP3A4 (0.39) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| SCHEMBL29098326 | 0.75 | CYP3A4 (0.37) | CYP3A4POLBSMN1; SMN2HTR2CHTR2B | |
| SCHEMBL6611519 | 0.70 | CYP3A4 (0.47) | CYP3A4POLBSMN1; SMN2HTR2CPNMT | |
| SCHEMBL21465735 | 0.70 | ADCY6 (0.57) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL6607763 | 0.70 | CYP3A4 (0.47) | CYP3A4POLBSMN1; SMN2HTR2CPNMT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013010453-A1 | CHEMOKING RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | WO | disclosed |