Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | TPX2 | Q9ULW0 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15797379 | 0.77 | AURKA (0.58) | P2RX7AURKATPX2TSHRALDH1A1 | |
| SCHEMBL28027141 | 0.77 | P2RX7 (0.46) | P2RX7AURKATPX2ALOX15 | |
| SCHEMBL28025571 | 0.75 | ALDH1A1 (0.46) | P2RX7PTGS1TSHRALDH1A1LMNA | |
| SCHEMBL18204014 | 0.73 | P2RX7 (0.43) | P2RX7AURKATPX2TSHRALDH1A1 | |
| SCHEMBL20939366 | 0.72 | P2RX7 (0.42) | P2RX7AURKATPX2MAPT | |
| SCHEMBL28947821 | 0.72 | CYP1A2 (0.44) | P2RX7PTGS2TSHRALDH1A1LMNA | |
| SCHEMBL28025049 | 0.72 | P2RX7 (0.44) | P2RX7AURKATPX2PTGS1PTGS2 | |
| SCHEMBL15797513 | 0.71 | P2RX7 (0.54) | P2RX7AURKATPX2MAPT | |
| SCHEMBL2980409 | 0.71 | ROCK2 (0.50) | P2RX7AURKATPX2ALDH1A1LMNA | |
| SCHEMBL21617923 | 0.69 | SMN1; SMN2 (0.51) | PTGS1PTGS2GLAKDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | disclosed |
| CN-104812749-A | Iindole carboxamide derivatives as p2x7 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-07-29 | — | — | CN | disclosed |