Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | CSNK2A3 | Q8NEV1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2211570 | 0.98 | CYP1A2 (0.42) | CYP1A2LMNAPOLBCSNK2A2CSNK2B | |
| SCHEMBL1686950 | 0.73 | CYP1A2 (0.52) | CYP1A2LMNAPOLB | |
| SCHEMBL873583 | 0.73 | POLB (0.50) | CYP1A2LMNAPOLB | |
| SCHEMBL28670137 | 0.72 | — | — | |
| SCHEMBL3302769 | 0.72 | — | — | |
| SCHEMBL12472912 | 0.71 | CYP1A2 (0.39) | CYP1A2LMNA | |
| SCHEMBL12473222 | 0.69 | LMNA (0.41) | CYP1A2LMNAPOLB | |
| SCHEMBL878583 | 0.69 | ADORA2A (0.40) | CYP1A2LMNAPOLB | |
| SCHEMBL874320 | 0.69 | CYP1A2 (0.38) | CYP1A2LMNAPOLB | |
| SCHEMBL11603299 | 0.68 | — | — |
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 |