Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.57 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | CDC25C | P30307 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6607407 | 0.86 | MAPT (0.58) | NR1H2NR1H3MAPTKCNH2ALDH1A1 | |
| SCHEMBL29334037 | 0.85 | MAPT (0.53) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| SCHEMBL5835749 | 0.83 | MAPT (0.73) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| SCHEMBL29337401 | 0.80 | CNR2 (0.56) | MAPTKCNH2ALDH1A1 | |
| SCHEMBL6560450 | 0.78 | CRHBP (0.47) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| P-Nitrophenol SCHEMBL29016446 | 0.78 | ALDH1A1 (0.56) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| SCHEMBL3979891 | 0.77 | MAPT (0.64) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| SCHEMBL3691462 | 0.77 | MAPT (0.64) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| SCHEMBL17795657 | 0.76 | KCNH2 (0.68) | MAPTKCNH2ALDH1A1CRHBPCRHR2 | |
| SCHEMBL6474787 | 0.75 | MAPT (0.61) | MAPTKCNH2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3707132-B1 | NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES | UNIV PARIS SACLAY (FR) | 2024-07-17 | — | — | EP | disclosed |