Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | DBF4 | Q9UBU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6850790 | 1.00 | KDM4E (0.35) | KDM4EALDH1A1CYP1A2CYP2A6CYP2E1 | |
| SCHEMBL6850782 | 1.00 | KDM4E (0.35) | KDM4EALDH1A1CYP1A2CYP2A6CYP2E1 | |
| SCHEMBL6852747 | 0.84 | CYP2E1 (0.36) | KDM4EALDH1A1CYP1A2CYP2A6CYP2E1 | |
| SCHEMBL6852754 | 0.84 | CYP2E1 (0.36) | KDM4EALDH1A1CYP1A2CYP2A6CYP2E1 | |
| SCHEMBL6848118 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2HSD17B10NPC1 | |
| SCHEMBL6848123 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2HSD17B10NPC1 | |
| SCHEMBL6848115 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2HSD17B10NPC1 | |
| SCHEMBL6875963 | 0.80 | CYP2A6 (0.57) | ALDH1A1CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL6875958 | 0.80 | CYP2A6 (0.57) | ALDH1A1CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL6875961 | 0.80 | CYP2A6 (0.57) | ALDH1A1CYP1A2CYP2A6CYP2E1CYP3A4 |
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 |