Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | THRB | P10828 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11800188 | 0.81 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL11798198 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL11392432 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL10457084 | 0.75 | CYP2C9 (0.43) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL11400014 | 0.74 | ELANE (0.42) | GAASMN1; SMN2ALDH1A1LMNATP53 | |
| SCHEMBL10458760 | 0.72 | GAA (0.48) | GAASMN1; SMN2MAPTALDH1A1TP53 | |
| SCHEMBL4856614 | 0.70 | GAA (0.43) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL4856619 | 0.70 | GAA (0.43) | CYP3A4CYP2C9CYP2C19GAASMN1; SMN2 | |
| SCHEMBL11387657 | 0.70 | ALDH1A1 (0.46) | GAAMAPTALDH1A1HTT | |
| SCHEMBL4848462 | 0.69 | GAA (0.56) | GAASMN1; SMN2MAPTTHRBL3MBTL1 |
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 4 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-3962224-A | CHEMICAL INTERMEDIATES FOR ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |