Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11531740 | 1.00 | ALDH1A1 (0.41) | ALDH1A1LMNAKDM4EHSD17B10CYP4F2 | |
| SCHEMBL11529284 | 0.98 | ALDH1A1 (0.42) | ALDH1A1LMNAKDM4EHSD17B10CYP4F2 | |
| SCHEMBL11533184 | 0.91 | CYP1A2 (0.40) | ALDH1A1LMNAKDM4EHSD17B10CYP4F2 | |
| SCHEMBL11528292 | 0.90 | CYP1A2 (0.41) | ALDH1A1LMNAKDM4EHSD17B10CYP4F2 | |
| SCHEMBL11530853 | 0.84 | CA12 (0.47) | ALDH1A1LMNAKDM4EHSD17B10CA12 | |
| SCHEMBL11528604 | 0.71 | PDE4D (0.42) | ALDH1A1LMNAKDM4ECA12CA1 | |
| SCHEMBL11847132 | 0.70 | — | — | |
| SCHEMBL4123314 | 0.70 | MAPT (0.47) | ALDH1A1LMNAKDM4EHSD17B10CYP4F2 | |
| SCHEMBL11531315 | 0.68 | MTNR1A (0.31) | — | |
| SCHEMBL689848 | 0.68 | MAPT (0.42) | ALDH1A1LMNAKDM4EHSD17B10CYP4F2 |
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 |