Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL3105952 | 0.86 | CA1 (0.40) | DGAT1CYP2C19CA12CA14CA1 | |
| SCHEMBL11387714 | 0.80 | HMGCR (0.33) | CYP2C19LMNA | |
| SCHEMBL16760 | 0.79 | CA12 (0.41) | DGAT1CYP2C19CA12CA14CA1 | |
| SCHEMBL11395560 | 0.77 | DGAT1 (0.32) | DGAT1CYP2C19LMNA | |
| SCHEMBL11384976 | 0.76 | — | — | |
| SCHEMBL5877427 | 0.74 | CYP1A2 (0.50) | CYP2C19CA1CA2CA7 | |
| SCHEMBL190856 | 0.73 | CA12 (0.37) | DGAT1CYP2C19LMNACA12CA14 | |
| SCHEMBL2461102 | 0.72 | CA1 (0.40) | CA12CA14CA1CA2CA7 | |
| SCHEMBL79739 | 0.72 | CA1 (0.40) | DGAT1CA12CA14CA1CA2 | |
| SCHEMBL27963220 | 0.72 | LMNA (0.38) | DGAT1CYP2C19LMNACA12CA14 |
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-4258040-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |