Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852067 | 1.00 | CYP2A6 (0.36) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6850817 | 0.81 | KDM4E (0.56) | KDM4EMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL6850810 | 0.81 | KDM4E (0.56) | KDM4EMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL6851794 | 0.80 | CYP2E1 (0.38) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6874553 | 0.77 | CYP2A6 (0.43) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6874570 | 0.77 | CYP2A6 (0.43) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6850773 | 0.77 | KDM4E (0.35) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6850790 | 0.77 | KDM4E (0.35) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6850782 | 0.77 | KDM4E (0.35) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6852022 | 0.76 | HDAC1 (0.41) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2C19 |
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 |