Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.37 |
| ▸ | SMPD2 | O60906 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6879468 | 1.00 | AURKA (0.41) | AURKAKDRERBB2PRKCZMPO | |
| SCHEMBL10399111 | 0.87 | CHAT (0.41) | AURKAKDRERBB2PRKCZMPO | |
| SCHEMBL9520783 | 0.87 | CHAT (0.41) | AURKAKDRERBB2PRKCZMPO | |
| SCHEMBL18387869 | 0.83 | AURKA (0.41) | AURKAKDRERBB2PRKCZCHAT | |
| SCHEMBL10399146 | 0.80 | AURKA (0.40) | AURKAKDRERBB2PRKCZCHAT | |
| SCHEMBL10397701 | 0.80 | AURKA (0.40) | AURKAKDRERBB2PRKCZCHAT | |
| SCHEMBL9520011 | 0.80 | AURKA (0.40) | AURKAKDRERBB2PRKCZCHAT | |
| SCHEMBL9521078 | 0.80 | AURKA (0.40) | AURKAKDRERBB2PRKCZCHAT | |
| SCHEMBL13181041 | 0.80 | TLR8 (0.49) | AURKAKDRERBB2PRKCZCHAT | |
| SCHEMBL13153507 | 0.79 | AURKA (0.41) | AURKAKDRERBB2PRKCZCHAT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825170-B2 | ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-11-30 | — | — | US | disclosed |
| EP-1453847-A1 | 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003050132-A1 | 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2003-06-19 | — | — | WO | disclosed |