Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | YAP1 | P46937 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23252435 | 0.79 | ENPP2 (0.43) | HRH3YAP1ENPP2MCHR1CNR1 | |
| SCHEMBL16252471 | 0.79 | ENPP2 (0.47) | ENPP2MCHR1 | |
| SCHEMBL23252389 | 0.78 | MCHR1 (0.41) | HRH3YAP1ENPP2MCHR1 | |
| SCHEMBL118275 | 0.77 | ENPP2 (0.45) | HRH3ENPP2MCHR1CNR1 | |
| SCHEMBL146674 | 0.77 | SLC6A5 (0.50) | ENPP2MCHR1CCR2 | |
| SCHEMBL117453 | 0.75 | HRH3 (0.43) | HRH3ENPP2CNR1ALDH1A1 | |
| SCHEMBL117412 | 0.75 | HRH3 (0.43) | HRH3ENPP2CNR1ALDH1A1 | |
| SCHEMBL21323349 | 0.74 | ENPP2 (0.43) | HRH3ENPP2MCHR1CNR1KDM4E | |
| SCHEMBL16962369 | 0.74 | ENPP2 (0.43) | HRH3ENPP2MCHR1CNR1KDM4E | |
| SCHEMBL16962370 | 0.70 | ENPP2 (0.38) | HRH3ENPP2MCHR1CNR1KDM4E |
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 |