Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1552831 | 0.81 | PDE4A (0.46) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL6136758 | 0.81 | PDE4A (0.55) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL27535812 | 0.78 | KMT2A (0.58) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL11373704 | 0.78 | EGFR (0.47) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL7370543 | 0.77 | MEN1 (0.58) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL7366622 | 0.77 | ALDH1A1 (0.44) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL7367307 | 0.77 | AR (0.50) | EGFRLCKPDE4APDE4BPDE4C | |
| SCHEMBL7674124 | 0.76 | ALDH1A1 (0.58) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL2332693 | 0.76 | ALDH1A1 (0.61) | ALDH1A1POLBGAAP2RY1RAB9A | |
| SCHEMBL7364681 | 0.75 | RAB9A (0.72) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0971894-A1 | NICOTINAMIDE DERIVATIVES | Pfizer Products Inc. (US) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998045268-A1 | NICOTINAMIDE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 1998-10-15 | — | — | WO | disclosed |