Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.46 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.45 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6879179 | 1.00 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL6847944 | 0.81 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL6876039 | 0.81 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL6847946 | 0.81 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL9191311 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL6851929 | 0.75 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL6847942 | 0.75 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL70114 | 0.74 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| Water SCHEMBL17731583 | 0.73 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2GAAMTOR | |
| SCHEMBL6850593 | 0.71 | RAB9A (0.63) | NPC1RAB9ASMN1; SMN2GAAMTOR |
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 |