Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | NHERF1 | O14745 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL6987501 | 0.94 | ALDH1A1 (0.41) | ALDH1A1GAATP53HTTRAB9A | |
| SCHEMBL7844071 | 0.85 | NPC1 (0.43) | ALDH1A1GAATP53HTTRAB9A | |
| SCHEMBL6987858 | 0.84 | ALDH1A1 (0.42) | ALDH1A1GAATP53HTTRAB9A | |
| SCHEMBL6984758 | 0.84 | ALDH1A1 (0.47) | ALDH1A1GAARAB9AKDM4EGLA | |
| SCHEMBL7845846 | 0.83 | GAA (0.51) | ALDH1A1GAATP53HTTKDM4E | |
| SCHEMBL7846837 | 0.82 | GAA (0.43) | ALDH1A1GAATP53HTTRAB9A | |
| SCHEMBL7847753 | 0.77 | GAA (0.40) | ALDH1A1GAATP53HTTRAB9A | |
| SCHEMBL7834064 | 0.77 | GAA (0.51) | ALDH1A1GAATP53HTTRAB9A | |
| SCHEMBL7834749 | 0.76 | GAA (0.48) | ALDH1A1GAATP53HTTKDM4E | |
| SCHEMBL7845789 | 0.75 | NPC1 (0.39) | ALDH1A1GAATP53HTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1363887-A1 | SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002070487-A1 | SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-09-12 | — | — | WO | disclosed |