Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28474964 | 0.80 | LDHA (0.45) | CYP1A2CES2CES1CNR1CYP2C19 | |
| SCHEMBL11212104 | 0.80 | ESR1 (0.41) | CYP1A2CYP2C19CA1CA2MEN1 | |
| SCHEMBL11210417 | 0.78 | CYP2C9 (0.42) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11217364 | 0.78 | MAPT (0.41) | CES2CES1ALOX5SMN1; SMN2MEN1 | |
| SCHEMBL8784244 | 0.78 | CYP1A2 (0.53) | CYP1A2CES2CES1CNR1CYP2C19 | |
| SCHEMBL11212846 | 0.78 | HDAC3 (0.44) | CES2CES1CA1CA2SMN1; SMN2 | |
| SCHEMBL11218294 | 0.78 | BRD4 (0.44) | CYP1A2CES2CES1CNR1CYP2C19 | |
| SCHEMBL9781797 | 0.77 | SRC (0.46) | CES2CES1KMT2A | |
| SCHEMBL11217162 | 0.76 | PARP1 (0.40) | SMN1; SMN2 | |
| SCHEMBL11214698 | 0.74 | TPSAB1 (0.40) | SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |