Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11529126 | 0.98 | ALDH1A1 (0.42) | ALDH1A1HDAC6KEAP1L3MBTL1KDM4E | |
| SCHEMBL11528657 | 0.89 | HDAC3 (0.35) | ALDH1A1HDAC6HSD17B10 | |
| SCHEMBL11535089 | 0.81 | GABRR1 (0.35) | — | |
| SCHEMBL11531740 | 0.77 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1KDM4EHSD17B10 | |
| SCHEMBL11529284 | 0.75 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1KDM4EHSD17B10 | |
| SCHEMBL11530172 | 0.70 | BLM (0.38) | — | |
| SCHEMBL11526838 | 0.66 | HCAR2 (0.32) | — | |
| SCHEMBL11528231 | 0.63 | — | — | |
| SCHEMBL2704416 | 0.63 | CHRM1 (0.39) | ALDH1A1KEAP1KDM4E | |
| SCHEMBL8631052 | 0.61 | KEAP1 (0.37) | ALDH1A1KEAP1HSD17B10 |
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-4142046-A | BACTERICIDES, 7-AMINO-CEPHALOSPORINS | SMITHKLINE CORPORATION (US) | 1979-02-27 | — | — | US | disclosed |
| US-4060610-A | Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections | SMITHKLINE CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |
| US-3989694-A | ANTIBACTERIAL | SMITHKLINE CORPORATION (US) | 1976-11-02 | — | — | US | disclosed |