Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4215659 | 0.83 | GLS (0.48) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL30688429 | 0.81 | POLB (0.49) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL2071309 | 0.81 | CYP2C19 (0.46) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL27878871 | 0.79 | POLB (0.50) | CYP2C19POLBCES2CES1KEAP1 | |
| SCHEMBL21381235 | 0.79 | CYP2C19 (0.43) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL3942724 | 0.79 | CYP2C19 (0.43) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL3309882 | 0.79 | CYP2C19 (0.47) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL9879846 | 0.78 | TAAR1 (0.44) | CYP2C19ALOX5CES2CES1KEAP1 | |
| SCHEMBL7556536 | 0.77 | CYP2C19 (0.57) | CYP2C19POLBALOX5CES2CES1 | |
| SCHEMBL27624468 | 0.76 | POLB (0.55) | CYP2C19POLBCES1ALDH1A1MEN1 |
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-4110342-A | PENICILLIN AND CEPHALOSPORIN INTERMEDIATES | PFIZER INC. (US) | 1978-08-29 | — | — | US | disclosed |