Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851994 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6851996 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6847707 | 0.80 | CYP3A4 (0.48) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6847696 | 0.80 | CYP3A4 (0.48) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6877238 | 0.79 | KDM4E (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6877239 | 0.79 | KDM4E (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6877242 | 0.79 | KDM4E (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6880930 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL6852285 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL6852283 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4EMEN1KMT2AMAPT |
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 |