Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6366201 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CFTRADRA1AKDM4E | |
| SCHEMBL6366383 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CFTRADRA1AKDM4E | |
| SCHEMBL28113820 | 0.80 | DRD4 (0.46) | ALDH1A1ADRA1APOLBRAB9AATM | |
| SCHEMBL27588810 | 0.80 | KDM4E (0.50) | ALDH1A1HSD17B10ADRA1AKDM4EATM | |
| SCHEMBL12253472 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CFTRKDM4EPOLB | |
| SCHEMBL28113204 | 0.79 | DRD4 (0.47) | ALDH1A1ADRA1APOLBRAB9AATM | |
| SCHEMBL27554247 | 0.79 | ADRA1A (0.44) | ALDH1A1ADRA1AKDM4ERAB9AATM | |
| SCHEMBL28025127 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CFTRKDM4EPOLB | |
| SCHEMBL6368328 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CFTRADRA1AKDM4E | |
| SCHEMBL6368326 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CFTRADRA1AKDM4E |
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-104803894-A | 2-aminobenzaldehyde oxime derivative and preparation method and application thereof | UNIV CHANG GUNG | 2015-07-29 | — | — | CN | disclosed |
| US-6884801-B1 | Imidazoline derivatives as alpha-1A adrenoceptor ligands | SMITHKLINE BEECHAM CORPORATION (US) | 2005-04-26 | — | — | US | disclosed |
| EP-1175406-A1 | IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000066563-A1 | IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2000-11-09 | — | — | WO | disclosed |