Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.58 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL19157635 | 0.84 | LMNA (0.47) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL22314 | 0.84 | LMNA (0.69) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| SCHEMBL339813 | 0.83 | LMNA (0.82) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| SCHEMBL27367676 | 0.83 | LMNA (0.82) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| SCHEMBL10216083 | 0.81 | CYP1A2 (0.66) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| SCHEMBL28205101 | 0.81 | LMNA (0.60) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| SCHEMBL14528932 | 0.80 | CYP4F2 (0.63) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| Monobenzone SCHEMBL11272996 | 0.79 | LMNA (1.00) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| Monobenzone SCHEMBL1903511 | 0.79 | LMNA (1.00) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 | |
| Monobenzone SCHEMBL8450838 | 0.79 | LMNA (1.00) | CYP1A2CYP2C19LMNAPTGS1SLC6A2 |
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-3421462-B1 | HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS | PFIZER (US) | 2023-04-05 | — | — | EP | disclosed |
| EP-3421462-A1 | HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS | Pfizer Inc (US) | 2019-01-02 | — | — | EP | disclosed |