Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | CHAT | P28329 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3103592 | 0.81 | AURKA (0.44) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL3164183 | 0.81 | GRM4 (0.47) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL3103597 | 0.81 | AURKA (0.44) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL3164179 | 0.81 | GRM4 (0.47) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL18387869 | 0.80 | AURKA (0.41) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL6655162 | 0.78 | AURKA (0.45) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL6655165 | 0.78 | AURKA (0.45) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL11882678 | 0.78 | HTT (0.54) | CYP11B2CYP11B1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13181041 | 0.78 | TLR8 (0.49) | AURKAKDRERBB2CYP11B2CYP11B1 | |
| SCHEMBL6879468 | 0.77 | AURKA (0.41) | AURKAKDRERBB2CYP11B2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6590083-B1 | Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-07-08 | — | — | US | disclosed |