Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | NOS3 | P29474 | 2/20 | 0.53 |
| ▸ | NOS2 | P35228 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7509399 | 0.82 | KDM4E (0.60) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL29361631 | 0.82 | KDM4E (0.60) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL9815282 | 0.81 | ALDH1A1 (0.58) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL30952113 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL22995932 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL29757777 | 0.80 | KDM4E (0.54) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL176019 | 0.80 | KDM4E (0.54) | KDM4EALDH1A1NOS3NOS2MAOA | |
| Hydrochloric Acid SCHEMBL3452241 | 0.79 | KDM4E (0.57) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL10881436 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL5009247 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1NOS3NOS2MAOA |
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 |