Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BRS3 | P32247 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 4/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6854228 | 0.90 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL1919022 | 0.82 | MKNK1 (0.55) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL9777426 | 0.81 | CYP2D6 (0.63) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL27032937 | 0.79 | CYP2C19 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL6852314 | 0.79 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL30639581 | 0.79 | CYP2C19 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL31140242 | 0.79 | CYP2D6 (0.61) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL6874956 | 0.78 | CYP1A2 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL11541937 | 0.78 | CYP2D6 (0.60) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL6881744 | 0.75 | CYP2D6 (0.53) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1585775-A | 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials | ORTHO MCNEIL PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |
| US-6825170-B2 | ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-11-30 | — | — | US | disclosed |