Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPX4 | P36969 | 5/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | DRD1 | P21728 | 2/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | BCL2 | P10415 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706697 | 0.94 | KCNH2 (0.65) | GPX4CYP2D6CYP19A1CHRM2HTR1A | |
| SCHEMBL3263282 | 0.84 | GPX4 (0.58) | GPX4CYP2D6CYP19A1CHRM2HTR1A | |
| SCHEMBL10371605 | 0.82 | ACHE (0.54) | GPX4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL10373775 | 0.82 | CACNA2D1 (0.44) | GPX4CYP2D6CYP19A1CHRM2HTR1A | |
| SCHEMBL7081283 | 0.81 | CHRM2 (0.58) | CYP2D6CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL7668121 | 0.77 | CHRM2 (0.83) | CYP2D6CYP19A1CHRM2HTR1AADRA2A | |
| SCHEMBL24496176 | 0.76 | GPX4 (1.00) | GPX4SLC6A9CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL2056217 | 0.76 | CHRM2 (0.86) | GPX4CYP2D6CYP19A1CHRM2HTR1A | |
| SCHEMBL25068897 | 0.76 | CHRM2 (0.64) | GPX4CYP2D6CYP19A1CHRM2HTR1A | |
| SCHEMBL25069185 | 0.76 | CYP2D6 (0.61) | GPX4CYP2D6CYP19A1CHRM2HTR1A |
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-0094159-B1 | DIHYDROPYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1990-03-14 | — | — | EP | claimed |