Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121044 | 0.96 | CYP3A4 (0.38) | CYP3A4CYP1A2MEN1KMT2ACYP2C9 | |
| SCHEMBL8121667 | 0.93 | CYP3A4 (0.39) | CYP3A4CYP1A2MEN1KMT2ACYP2C9 | |
| Acetic Acid SCHEMBL8936420 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP1A2KMT2ACYP2C9KCNQ2 | |
| SCHEMBL8380581 | 0.77 | KCNQ2 (0.43) | CYP3A4CYP1A2CYP2C9KCNQ2ALOX15 | |
| SCHEMBL8111662 | 0.76 | CYP1A2 (0.43) | CYP3A4CYP1A2KMT2ACYP2C9KCNQ2 | |
| SCHEMBL8112337 | 0.76 | ATM (0.40) | CYP3A4CYP1A2KMT2ACYP2C9KCNQ2 | |
| SCHEMBL8119301 | 0.76 | CYP1A2 (0.38) | CYP3A4CYP1A2KMT2ACYP2C9KCNQ2 | |
| Sibopirdine SCHEMBL120953 | 0.76 | CYP3A4 (0.54) | CYP3A4CYP1A2KMT2ACYP2C9KCNQ2 | |
| Hydrochloric Acid SCHEMBL8118381 | 0.75 | TBXAS1 (0.36) | TSHRALDH1A1KDM4E | |
| SCHEMBL8118506 | 0.74 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C9KCNQ2ALOX15 |
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-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 |