Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6851016 | 0.78 | SMN1; SMN2 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL3151931 | 0.78 | SMN1; SMN2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27905069 | 0.76 | SMN1; SMN2 (0.72) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6852729 | 0.74 | KDM4E (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6852136 | 0.74 | NOTUM (0.50) | ALDH1A1KDM4EMAPTMELKMMP2 | |
| SCHEMBL696687 | 0.74 | SMN1; SMN2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL2270763 | 0.74 | KDM4E (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27967177 | 0.73 | SMN1; SMN2 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6847759 | 0.73 | QPCT (0.43) | CYP1A2CYP2C9ALDH1A1KDM4EMELK | |
| SCHEMBL19567209 | 0.72 | SMN1; SMN2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 |
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 |