Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11534999 | 0.99 | GAA (0.48) | GAAHPGDKEAP1CYP2C19FFAR1 | |
| SCHEMBL11535000 | 0.88 | HDAC3 (0.44) | GAAHPGDCYP2C19ALDH1A1IDO1 | |
| SCHEMBL11525975 | 0.84 | GAA (0.50) | GAAHPGDKEAP1CYP2C19FFAR1 | |
| SCHEMBL9477798 | 0.74 | HDAC1 (0.52) | GAAKEAP1ALDH1A1TSHRHSD11B1 | |
| SCHEMBL21606708 | 0.71 | HSD11B1 (0.77) | GAAHPGDKEAP1FFAR1SMN1; SMN2 | |
| SCHEMBL11530975 | 0.70 | POLB (0.48) | GAAHPGDALDH1A1HTTIDO1 | |
| SCHEMBL11530981 | 0.70 | ALDH1A1 (0.47) | GAAHPGDKDM4EALDH1A1IDO1 | |
| SCHEMBL11528186 | 0.69 | CYP19A1 (0.51) | KDM4EALDH1A1POLBSMN1; SMN2CYP1A2 | |
| SCHEMBL1311300 | 0.68 | HDAC1 (0.66) | — | |
| SCHEMBL24570424 | 0.67 | POLB (0.54) | HPGDCYP2C19ALDH1A1IDO1POLB |
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 |