Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | RRM1 | P23921 | 1/20 | 0.52 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27909447 | 0.77 | ALDH1A1 (0.72) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL6170302 | 0.76 | SIGMAR1 (0.53) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL27927120 | 0.76 | SIGMAR1 (0.60) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL11391883 | 0.75 | CYP1A2 (0.57) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL9216354 | 0.74 | MAPT (0.54) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL27909369 | 0.74 | ALDH1A1 (0.55) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL27909438 | 0.74 | CYP2A13 (0.53) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL27927147 | 0.74 | ALDH1A1 (0.50) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL27909372 | 0.74 | SIGMAR1 (0.58) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL27909392 | 0.74 | ALDH1A1 (0.50) | ALDH1A1POLBCYP1A2CYP2D6CYP3A4 |
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-0195374-B1 | N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND COMPOSITION CONTAINING SAME FOR TREATING DISORDERS OF CARDIOVASCULAR SYSTEM | SUNTORY LIMITED (JP) | 1992-07-29 | — | — | EP | claimed |
| EP-0195374-B1 | N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND COMPOSITION CONTAINING SAME FOR TREATING DISORDERS OF CARDIOVASCULAR SYSTEM | SUNTORY LIMITED (JP) | 1992-07-29 | — | — | EP | disclosed |