Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 3/20 | 0.43 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | YAP1 | P46937 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL16252471 | 0.87 | ENPP2 (0.47) | ENPP2ATXN2DRD4MCHR1PHGDH | |
| SCHEMBL146674 | 0.84 | SLC6A5 (0.50) | ENPP2ATXN2DRD4MCHR1 | |
| SCHEMBL118275 | 0.80 | ENPP2 (0.45) | ENPP2ATXN2CNR1MCHR1HRH3 | |
| SCHEMBL23252394 | 0.79 | HRH3 (0.42) | ENPP2KDM1AHDAC6CNR1MCHR1 | |
| SCHEMBL117453 | 0.77 | HRH3 (0.43) | ENPP2ATXN2CNR1HRH3 | |
| SCHEMBL117412 | 0.77 | HRH3 (0.43) | ENPP2ATXN2CNR1HRH3 | |
| SCHEMBL18464186 | 0.76 | ENPP2 (0.60) | ENPP2ATXN2DRD4PARP1ROCK2 | |
| SCHEMBL18464309 | 0.75 | ENPP2 (0.60) | ENPP2ATXN2DRD4KDM1AHDAC6 | |
| SCHEMBL21323349 | 0.75 | ENPP2 (0.43) | ENPP2ATXN2CNR1MCHR1HRH3 | |
| SCHEMBL16962369 | 0.75 | ENPP2 (0.43) | ENPP2ATXN2CNR1MCHR1HRH3 |
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-2623101-B1 | Piperidine and piperazine derivatives as autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2021-04-21 | — | — | EP | disclosed |