Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.66 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | RECQL | P46063 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.66 |
| ▸ | THPO | P40225 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11138504 | 0.87 | PTGS1 (0.66) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL10174229 | 0.86 | HDAC4 (0.56) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL12247344 | 0.86 | HDAC4 (0.56) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL12247341 | 0.86 | HDAC4 (0.56) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL7209932 | 0.85 | PTGS1 (0.64) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL4762195 | 0.84 | ALDH1A1 (0.58) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL8679374 | 0.83 | ALDH1A1 (0.66) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL10179086 | 0.83 | PTGS1 (0.47) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL2758518 | 0.83 | HDAC4 (0.56) | PTGS1PTGS2MAPTALDH1A1CXCR1 | |
| SCHEMBL16091082 | 0.83 | PTGS1 (0.60) | PTGS1PTGS2MAPTALDH1A1CXCR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1509216-B1 | ACTIVE INGREDIENT SALTS AND ESTERS OF 1-DIMETHYLAMINO-3-(3-METHOXY-PHENYL)-2-METHYL-PENTAN-3-OL AND 3-(3-DIMETHYLAMINO-1-ETHYL-1-HYDROXY-2-METHYL-PROPYL)-PHENOL | GRUENENTHAL GMBH (DE) | 2008-05-07 | — | — | EP | disclosed |