Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449575 | 0.84 | P2RX7 (0.41) | P2RX7ALDH1A1MAPTKCNH2KMT2A | |
| SCHEMBL6650106 | 0.82 | P2RX7 (0.46) | P2RX7ALDH1A1MAPTKCNH2KMT2A | |
| SCHEMBL9751984 | 0.74 | HSP90AA1 (0.74) | HSP90AA1ALDH1A1CA1ACHE | |
| SCHEMBL6647704 | 0.73 | P2RX7 (0.51) | HSP90AA1P2RX7ALDH1A1MAPTKCNH2 | |
| SCHEMBL6653570 | 0.73 | HSP90AA1 (0.46) | HSP90AA1ALDH1A1KMT2AL3MBTL1PGR | |
| SCHEMBL6651166 | 0.72 | KDM4E (0.38) | P2RX7ALDH1A1KCNH2DRD4 | |
| SCHEMBL27542850 | 0.72 | P2RX7 (0.60) | P2RX7ALDH1A1MAPTKCNH2KMT2A | |
| SCHEMBL27164556 | 0.68 | CYP19A1 (0.44) | ALDH1A1MAPTKMT2APGRHTT | |
| SCHEMBL573718 | 0.67 | GABRA1 (0.70) | HSP90AA1ALDH1A1CA1ACHE | |
| SCHEMBL7757122 | 0.66 | KDM5A (0.43) | ALDH1A1KCNH2KMT2AL3MBTL1KDM4C |
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 |