Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ATR | Q13535 | 2/20 | 0.48 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | ATP4A | P20648 | 1/20 | 0.43 |
| ▸ | ATP4B | P51164 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13425400 | 0.86 | GAA (0.50) | HSP90AA1HSP90AB1ALDH1A1GAAMAPT | |
| SCHEMBL3399496 | 0.83 | CHRNA7 (0.47) | HSP90AA1HSP90AB1ALDH1A1GAAMAPT | |
| SCHEMBL3397291 | 0.83 | MAOB (0.47) | HSP90AA1HSP90AB1ALDH1A1ADORA2AADORA1 | |
| SCHEMBL3246149 | 0.82 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ALDH1A1ADORA2AKDM4E | |
| SCHEMBL3394031 | 0.81 | NCOA1 (0.44) | HSP90AA1HSP90AB1ATRADORA2AADORA1 | |
| SCHEMBL3398117 | 0.80 | MPL (0.44) | HSP90AA1MAPTADORA2AKDM4EADORA1 | |
| SCHEMBL3395005 | 0.80 | DHFR (0.47) | HSP90AA1HSP90AB1ALDH1A1MAPTHPGD | |
| SCHEMBL3393510 | 0.80 | ADORA2A (0.40) | HSP90AA1HSP90AB1ATRADORA2AADORA1 | |
| SCHEMBL13425651 | 0.80 | CYP1A2 (0.49) | — | |
| SCHEMBL27990113 | 0.78 | ALDH1A1 (0.51) | HSP90AA1HSP90AB1ALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102822150-B | 1,2, 4-triazin-4-amine derivatives | HEPTARES THERAPEUTICS LTD | 2014-12-03 | — | — | CN | disclosed |
| CN-102822150-A | 1,2, 4-triazin-4-amine derivatives | HEPTARES THERAPEUTICS LTD | 2012-12-12 | — | — | CN | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |