Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 7/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8378999 | 0.88 | KCNQ2 (0.60) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL8379031 | 0.87 | KCNQ2 (0.50) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL8378784 | 0.86 | KCNQ2 (0.46) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL9267924 | 0.85 | CYP1A2 (0.46) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL8733218 | 0.84 | CYP1A2 (0.46) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL8736238 | 0.83 | CYP1A2 (0.43) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| Bromide SCHEMBL8377484 | 0.82 | CYP1A2 (0.42) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL8381590 | 0.82 | CYP1A2 (0.43) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| SCHEMBL9261740 | 0.82 | KCNQ2 (0.79) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 | |
| Acetic Acid SCHEMBL8380579 | 0.80 | KCNQ2 (0.43) | KCNQ2CYP3A4ALOX15TSHRCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5300642-A | α, α-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| EP-0311010-B1 | Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | DU PONT MERCK PHARMA (US) | 1994-02-02 | — | — | EP | disclosed |
| EP-0532054-A1 | Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5173489-A | α,α-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1992-12-22 | — | — | US | disclosed |
| EP-0311010-A2 | Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1989-04-12 | — | — | EP | disclosed |