Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.72 |
| ▸ | CA9 | Q16790 | 3/20 | 0.70 |
| ▸ | CA12 | O43570 | 2/20 | 0.70 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.70 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.70 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | STS | P08842 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1549023 | 0.85 | P2RX7 (0.73) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL5923445 | 0.84 | P2RX7 (1.00) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL3321310 | 0.83 | CA9 (0.64) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL5811901 | 0.83 | CA9 (0.68) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL7707848 | 0.83 | CNR2 (0.65) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL3324612 | 0.83 | ALDH1A1 (0.70) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL7705995 | 0.83 | P2RX7 (0.71) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL11735442 | 0.83 | ALDH1A1 (0.64) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL11741838 | 0.83 | SMN1; SMN2 (0.71) | P2RX7CA9CA12ENPP3ENPP1 | |
| SCHEMBL11741818 | 0.81 | P2RX7 (0.75) | P2RX7CA9CA12ENPP3ENPP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0898569-A1 | PIPERIDINES AND PYRROLIDINES | MERCK PATENT GmbH (DE) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997040038-A1 | PIPERIDINES AND PYRROLIDINES | MERCK PATENT GMBH (DE) | 1997-10-30 | — | — | WO | disclosed |
| US-4053509-A | ADAMANTANE-CARBOXAMIDES OR CYCLOPROPANE-CARBOXAMIDES, CNS DRUGS ON | SCHERING CORPORATION (US) | 1977-10-11 | — | — | US | disclosed |
| US-3944675-A | Substituted aryl and aralkyl amides in the treatment of parkinsonism | SCHERING CORPORATION (US) | 1976-03-16 | — | — | US | disclosed |