Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | 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 | 9/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL1744620 | 0.79 | GRM5 (0.50) | ALDH1A1HPGDSMMP2MMP12MELK | |
| SCHEMBL6227667 | 0.76 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AMMP2MMP12 | |
| SCHEMBL6850650 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2MMP2 | |
| SCHEMBL6869984 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL6852551 | 0.76 | NPC1 (0.54) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL80946 | 0.75 | CYP1A2 (0.54) | ALDH1A1SMN1; SMN2MMP2MMP12MELK | |
| SCHEMBL487492 | 0.74 | CYP1A2 (0.58) | ALDH1A1SMN1; SMN2MMP2MMP12KDM4E | |
| SCHEMBL6852735 | 0.73 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MMP2 | |
| Biphenyl SCHEMBL372204 | 0.73 | ALDH1A1 (0.77) | ALDH1A1RAB9A | |
| SCHEMBL372200 | 0.72 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9ASMN1; SMN2MELK |
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 |