Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8118506 | 0.89 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| Sibopirdine SCHEMBL120953 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| SCHEMBL8111662 | 0.81 | CYP1A2 (0.43) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| Water SCHEMBL8111654 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| Water SCHEMBL120952 | 0.77 | CYP1A2 (0.45) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| SCHEMBL8119301 | 0.75 | CYP1A2 (0.38) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| Acetic Acid SCHEMBL8936420 | 0.74 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| Hydrochloric Acid SCHEMBL8120335 | 0.73 | KCNQ2 (0.52) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| SCHEMBL9265681 | 0.73 | KCNQ2 (0.64) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 | |
| SCHEMBL8121667 | 0.72 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP1A2KCNQ2ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623132-B1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | DU PONT PHARM CO (US) | 2000-08-09 | — | — | EP | disclosed |
| US-5532249-A | ALZHEIMERS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| 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 |