Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.53 |
| ▸ | CDK4 | P11802 | 1/20 | 0.53 |
| ▸ | CCND1 | P24385 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL977594 | 0.86 | GAA (0.65) | GAAKDM4EHSP90AA1HSP90AB1CDK4 | |
| SCHEMBL9117254 | 0.84 | GAA (0.63) | GAAKDM4EHSP90AA1HSP90AB1CDK4 | |
| SCHEMBL1515816 | 0.84 | GAA (0.62) | GAAKDM4EHSP90AA1HSP90AB1CDK4 | |
| SCHEMBL30285198 | 0.82 | SLC6A3 (0.66) | GAAKDM4EHSP90AA1HSP90AB1CDK4 | |
| SCHEMBL8887143 | 0.82 | GAA (0.59) | GAAKDM4EHSP90AA1HSP90AB1CDK4 | |
| SCHEMBL6300807 | 0.81 | GAA (0.80) | GAAKDM4EPOLBRAB9AALDH1A1 | |
| SCHEMBL496484 | 0.81 | KDM4E (0.62) | GAAKDM4EPOLBRAB9AALDH1A1 | |
| SCHEMBL4709256 | 0.80 | BCAT2 (0.59) | GAAKDM4ECDK4CCND1RAB9A | |
| SCHEMBL7894667 | 0.80 | GAA (0.57) | GAAKDM4EHSP90AA1HSP90AB1CDK4 | |
| SCHEMBL6295717 | 0.78 | GAA (0.70) | GAAKDM4EPOLBRAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5410054-A | Heteroaryl quinolines as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1995-04-25 | — | — | US | disclosed |
| WO-1995003300-A1 | HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1995-02-02 | — | — | WO | disclosed |