Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL7811946 | 1.00 | ADORA2A (0.42) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7811938 | 1.00 | ADORA2A (0.42) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7818228 | 0.89 | KDM4E (0.39) | KDM4EGLAGAAHTTALDH1A1 | |
| SCHEMBL7820129 | 0.87 | ADORA2A (0.40) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7820068 | 0.87 | KDM4E (0.39) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7810515 | 0.87 | KDM4E (0.39) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7826319 | 0.86 | KDM4E (0.40) | KDM4EGLAGAAHTTALDH1A1 | |
| SCHEMBL7818704 | 0.86 | KDM4E (0.38) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7820223 | 0.84 | KDM4E (0.38) | ADORA2AKDM4EGLAGAAHTT | |
| SCHEMBL7818490 | 0.83 | EHMT2 (0.40) | ADORA2AKDM4EGLAGAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0677049-B1 | QUINAZOLINE DERIVATIVES | YUHAN CORP LTD (KR) | 2001-07-25 | — | — | EP | disclosed |
| US-5686458-A | Quinazoline deriviates for treating peptic ulcer | YUHAN CORPORATION (KR) | 1997-11-11 | — | — | US | disclosed |
| EP-0677049-A1 | QUINAZOLINE DERIVATIVES | YUHAN CORPORATION, LTD. (KR) | 1995-10-18 | — | — | EP | disclosed |
| WO-1994014795-A1 | QUINAZOLINE DERIVATIVES | YUHAN CORPORATION (KR) | 1994-07-07 | — | — | WO | disclosed |