Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | PIEZO1 | Q92508 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6852412 | 0.81 | ADORA2A (0.35) | ADORA2AADORA1CYP2A6 | |
| SCHEMBL6852029 | 0.77 | ADORA2A (0.33) | ADORA2AADORA1MAPK8MAPK9MAPK10 | |
| SCHEMBL6847879 | 0.71 | MELK (0.37) | MELKCYP2A6PIEZO1MAPK14ALDH1A1 | |
| SCHEMBL6852362 | 0.70 | CYP2C9 (0.49) | MELKCYP2A6HDAC1ALDH1A1CYP2D6 | |
| SCHEMBL6852062 | 0.69 | ADORA2A (0.33) | ADORA2AADORA1MAPK8MAPK9MAPK10 | |
| SCHEMBL6852065 | 0.69 | ADORA2A (0.33) | ADORA2AADORA1MAPK8MAPK9MAPK10 | |
| SCHEMBL6850776 | 0.67 | CASP6 (0.33) | ADORA2AADORA1MAPK8MAPK9MAPK10 | |
| SCHEMBL6881064 | 0.67 | ADORA2A (0.34) | ADORA2AADORA1MAPK8MAPK9MAPK10 | |
| SCHEMBL6881058 | 0.67 | ADORA2A (0.34) | ADORA2AADORA1MAPK8MAPK9MAPK10 | |
| SCHEMBL6850786 | 0.67 | CASP6 (0.33) | ADORA2AADORA1MAPK8MAPK9MAPK10 |
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 |