Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648592 | 0.82 | HSP90AA1 (0.46) | P2RX7KMT2AL3MBTL1KCNH2KDM4C | |
| SCHEMBL6449575 | 0.78 | P2RX7 (0.41) | P2RX7KMT2AKCNH2MAPTALDH1A1 | |
| SCHEMBL6647704 | 0.76 | P2RX7 (0.51) | P2RX7KMT2AL3MBTL1KCNH2KDM4C | |
| SCHEMBL9816664 | 0.74 | HSPA5 (0.56) | KMT2ATSHRMAPTALDH1A1HSPA5 | |
| SCHEMBL6651356 | 0.72 | DRD2 (0.44) | P2RX7ALDH1A1DRD4KDM4ELMNA | |
| SCHEMBL27542850 | 0.69 | P2RX7 (0.60) | P2RX7KMT2AL3MBTL1KCNH2MAPT | |
| SCHEMBL27164556 | 0.68 | CYP19A1 (0.44) | KMT2AMAPTALDH1A1HTTKDM4E | |
| SCHEMBL573719 | 0.67 | GABRA1 (0.56) | TSHRDRD4DRD3HSPA5ESR1 | |
| SCHEMBL7757122 | 0.66 | KDM5A (0.43) | KMT2AL3MBTL1KCNH2KDM4CALDH1A1 | |
| SCHEMBL3621145 | 0.66 | BCL2 (0.55) | KMT2ATSHRHSPA5IDH1 |
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-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |