Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 14/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5012046 | 0.84 | ACHE (0.49) | TDP1ACHEEPHX1CA12CA1 | |
| SCHEMBL12390787 | 0.83 | ACHE (0.46) | TDP1ACHECA12CA1CA2 | |
| SCHEMBL13073328 | 0.83 | ACHE (0.66) | ACHEEPHX1 | |
| SCHEMBL3264718 | 0.81 | ACHE (0.44) | TDP1ACHE | |
| SCHEMBL16471371 | 0.81 | ACHE (0.44) | TDP1ACHECA12CA1CA2 | |
| SCHEMBL19449057 | 0.80 | ACHE (0.47) | TDP1ACHECA12CA1CA2 | |
| SCHEMBL15756876 | 0.80 | TDP1 (0.54) | TDP1ACHEEPHX1CA12CA1 | |
| SCHEMBL4816959 | 0.79 | ACHE (0.62) | TDP1ACHEEPHX1 | |
| SCHEMBL360927 | 0.77 | TDP1 (0.96) | TDP1ACHEEPHX1CA12CA1 | |
| SCHEMBL8425986 | 0.77 | ACHE (0.66) | TDP1ACHEEPHX1 |
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-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |