Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PPID | Q08752 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8127736 | 0.99 | KCNQ2 (0.52) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL8377631 | 0.87 | KCNQ2 (0.43) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| SCHEMBL9543487 | 0.85 | KCNQ2 (0.49) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL8120316 | 0.84 | KCNQ2 (0.48) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| SCHEMBL24981178 | 0.82 | ALDH1A1 (0.44) | CYP1A2TSHRALDH1A1ATMGAA | |
| SCHEMBL17051306 | 0.82 | APEX1 (0.47) | CYP1A2TSHRALDH1A1ATMGAA | |
| SCHEMBL8111094 | 0.79 | KCNQ2 (0.48) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL8111088 | 0.78 | KCNQ2 (0.47) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL8111092 | 0.78 | KCNQ2 (0.47) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 | |
| Water SCHEMBL8120263 | 0.78 | KCNQ2 (0.59) | KCNQ2CYP1A2CYP3A4CYP2C9ALOX15 |
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-0623132-A1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993014092-A1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |