Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12885084 | 1.00 | TDP1 (0.56) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL22276648 | 1.00 | TDP1 (0.56) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL13055393 | 0.98 | TDP1 (0.58) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL24916653 | 0.94 | TDP1 (0.51) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL29967039 | 0.94 | TDP1 (0.51) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL22919730 | 0.94 | TDP1 (0.51) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL21534023 | 0.93 | TDP1 (0.50) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL21091065 | 0.93 | TDP1 (0.50) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL23728653 | 0.93 | TDP1 (0.59) | TDP1MEN1KMT2AGAACA12 | |
| SCHEMBL22862014 | 0.93 | TDP1 (0.50) | TDP1MEN1KMT2AGAACA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020152067-A1 | HETEROCYCLIC DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-07-30 | — | — | WO | disclosed |