Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10875816 | 0.90 | TSHR (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10876017 | 0.87 | TSHR (0.54) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10920980 | 0.85 | TSHR (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10880137 | 0.82 | PDE3B (0.49) | TSHRCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL10875309 | 0.81 | TSHR (0.60) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10875812 | 0.78 | TSHR (0.53) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10877991 | 0.75 | PDE3B (0.49) | TSHRCYP1A2CYP3A4CYP2C9CA1 | |
| SCHEMBL10877037 | 0.74 | PDE3B (0.51) | TSHRCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL10877917 | 0.74 | HPGD (0.50) | TSHRCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL10875778 | 0.73 | PDE3B (0.48) | TSHRCYP1A2CYP3A4CYP2C9PDE3B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0064707-B1 | 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-07-23 | — | — | EP | disclosed |
| EP-0064704-B1 | 4-AMINOMETHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-04-16 | — | — | EP | disclosed |
| US-4526981-A | [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-07-02 | — | — | US | disclosed |
| US-4381393-A | 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-04-26 | — | — | US | disclosed |
| EP-0065165-A1 | 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-11-24 | — | — | EP | disclosed |
| EP-0064707-A1 | 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-11-17 | — | — | EP | disclosed |
| US-4329471-A | CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-05-11 | — | — | US | disclosed |