Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.54 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL6851676 | 1.00 | MKNK1 (0.54) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL6851674 | 1.00 | MKNK1 (0.54) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL6879593 | 0.82 | ATM (0.39) | MKNK1MKNK2CYP2A6HDAC3HDAC1 | |
| SCHEMBL6879587 | 0.82 | ATM (0.39) | MKNK1MKNK2CYP2A6HDAC3HDAC1 | |
| SCHEMBL6879589 | 0.82 | ATM (0.39) | MKNK1MKNK2CYP2A6HDAC3HDAC1 | |
| SCHEMBL6851701 | 0.82 | NEK2 (0.44) | CYP3A4CYP11B2KIF11P4HBCYP19A1 | |
| SCHEMBL6851702 | 0.82 | NEK2 (0.44) | CYP3A4CYP11B2KIF11P4HBCYP19A1 | |
| SCHEMBL6851704 | 0.82 | NEK2 (0.44) | CYP3A4CYP11B2KIF11P4HBCYP19A1 | |
| SCHEMBL6854752 | 0.81 | MKNK1 (0.50) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL6854756 | 0.81 | MKNK1 (0.50) | MKNK1MKNK2CYP2A6CYP3A4ALDH1A1 |
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 |