Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGDS | O60760 | 15/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6852124 | 1.00 | NPC1 (0.48) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL6852587 | 0.81 | NPC1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL6852593 | 0.81 | NPC1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL6852590 | 0.81 | NPC1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL27612733 | 0.77 | HDAC4 (0.37) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL6850715 | 0.76 | CLK4 (0.40) | NPC1RAB9A | |
| SCHEMBL6850718 | 0.76 | CLK4 (0.40) | NPC1RAB9A | |
| SCHEMBL1791248 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL9433706 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL1791250 | 0.74 | ALDH1A1 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1585775-A | 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials | ORTHO MCNEIL PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |
| 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 |