Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9842330 | 0.81 | OPRD1 (0.42) | TDP1KMT2A | |
| SCHEMBL6008596 | 0.80 | SIGMAR1 (0.45) | TDP1SIGMAR1CYP2C19 | |
| SCHEMBL1189619 | 0.80 | SIGMAR1 (0.47) | TDP1SIGMAR1CYP2C19 | |
| SCHEMBL9842022 | 0.79 | SIGMAR1 (0.41) | KMT2ASIGMAR1 | |
| SCHEMBL9842021 | 0.79 | TDP1 (0.42) | TDP1KMT2ANR1H2NR1H3 | |
| SCHEMBL19486854 | 0.74 | SIGMAR1 (0.47) | TDP1KMT2ASIGMAR1CYP2C19 | |
| SCHEMBL26893117 | 0.74 | SIGMAR1 (0.47) | TDP1KMT2ASIGMAR1CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL26697682 | 0.74 | MITF (0.40) | KMT2ASIGMAR1CYP2C19 | |
| SCHEMBL4991666 | 0.72 | ELANE (0.42) | TDP1NR1H2NR1H3CYP2C19 | |
| SCHEMBL9842200 | 0.72 | OPRD1 (0.42) | KMT2A |
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-0461264-A1 | ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |