Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 2/20 | 0.34 |
| ▸ | EP300 | Q09472 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4773914 | 1.00 | ACHE (0.40) | ACHEP2RX7ALOX5GPR84KDM4E | |
| SCHEMBL4764565 | 1.00 | ACHE (0.40) | ACHEP2RX7ALOX5GPR84KDM4E | |
| Hydrochloric Acid SCHEMBL4109126 | 0.99 | ACHE (0.39) | ACHEP2RX7ALOX5GPR84KDM4E | |
| Hydrochloric Acid SCHEMBL4097971 | 0.99 | ACHE (0.39) | ACHEP2RX7ALOX5GPR84KDM4E | |
| Hydrochloric Acid SCHEMBL4104150 | 0.99 | ACHE (0.39) | ACHEP2RX7ALOX5GPR84KDM4E | |
| Hydrochloric Acid SCHEMBL4103646 | 0.99 | ACHE (0.39) | ACHEP2RX7ALOX5GPR84KDM4E | |
| SCHEMBL4766880 | 0.99 | ACHE (0.41) | ACHEP2RX7ALOX5KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL4104326 | 0.98 | ACHE (0.40) | ACHEP2RX7ALOX5GPR84KDM4E | |
| SCHEMBL4770228 | 0.93 | SMN1; SMN2 (0.39) | ACHEP2RX7KDM4EMAPK1MAPT | |
| SCHEMBL4770298 | 0.93 | SMN1; SMN2 (0.39) | ACHEP2RX7KDM4EMAPK1MAPT |
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-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |