Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 6/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.35 |
| ▸ | PREP | P48147 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4103480 | 0.99 | P2RX7 (0.36) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| Hydrochloric Acid SCHEMBL4098418 | 0.86 | P2RX7 (0.39) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| Hydrochloric Acid SCHEMBL4113599 | 0.85 | SMN1; SMN2 (0.38) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| Hydrochloric Acid SCHEMBL4101882 | 0.84 | BCHE (0.38) | SMN1; SMN2BCHEACHEPREPALDH1A1 | |
| SCHEMBL4792771 | 0.84 | ACHE (0.40) | RAB9ABCHEACHEALDH1A1HTT | |
| SCHEMBL4900648 | 0.83 | SCN1A (0.35) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| Hydrochloric Acid SCHEMBL4114604 | 0.83 | ACHE (0.40) | RAB9ABCHEACHEALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL4104089 | 0.83 | BCHE (0.43) | SMN1; SMN2BCHEACHEPREPALDH1A1 | |
| Hydrochloric Acid SCHEMBL4102832 | 0.83 | P2RX7 (0.34) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| Hydrochloric Acid SCHEMBL4098070 | 0.82 | P2RX7 (0.38) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 |
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 |