Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3308217 | 0.83 | CYP2C19 (0.69) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL666893 | 0.82 | CYP2C19 (1.00) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1458057 | 0.82 | CYP2C19 (1.00) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1458050 | 0.82 | CYP2C19 (1.00) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL10959538 | 0.80 | CYP2C19 (0.96) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1457969 | 0.80 | CYP2C19 (0.96) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1458161 | 0.80 | CYP2C19 (0.96) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL25401164 | 0.79 | CYP2C19 (0.62) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL17730949 | 0.79 | CYP2C19 (0.62) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL845836 | 0.79 | CYP2C19 (0.62) | CYP2C19CYP2D6SRCLMNAMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4293555-A | OXAPENICILLIN ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-10-06 | — | — | US | claimed |
| EP-0002210-A1 | 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds | MERCK & CO. INC. (US) | 1979-06-13 | — | — | EP | claimed |