Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6852642 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL3149307 | 0.87 | NPC1 (0.60) | ALDH1A1MEN1KMT2ACASP1HDAC3 | |
| SCHEMBL4105395 | 0.87 | NPC1 (0.60) | ALDH1A1MEN1KMT2ACASP1HDAC3 | |
| SCHEMBL5800253 | 0.81 | MAPT (0.47) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL5800255 | 0.81 | MAPT (0.47) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL12132425 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL9970465 | 0.80 | NPC1 (0.54) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL6851745 | 0.80 | CYP3A4 (0.52) | ALDH1A1MEN1KMT2ACYP3A4RECQL | |
| SCHEMBL6851757 | 0.80 | CYP3A4 (0.52) | ALDH1A1MEN1KMT2ACYP3A4RECQL | |
| SCHEMBL6656717 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACASP1CASP7 |
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 |