Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COL1A1 | P02452 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.36 |
| ▸ | PDIA4 | P13667 | 1/20 | 0.35 |
| ▸ | PDIA3 | P30101 | 1/20 | 0.35 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL4770654 | 0.99 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4770482 | 0.99 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4768195 | 0.99 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| Hydrochloric Acid SCHEMBL4116826 | 0.99 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| Hydrochloric Acid SCHEMBL4098415 | 0.98 | COL1A1 (0.44) | COL1A1ACHEKMT2ABCHEPREP | |
| Hydrochloric Acid SCHEMBL4105399 | 0.98 | COL1A1 (0.44) | COL1A1ACHEKMT2ABCHEPREP | |
| Hydrochloric Acid SCHEMBL4108532 | 0.98 | COL1A1 (0.44) | COL1A1ACHEKMT2ABCHEPREP | |
| Hydrochloric Acid SCHEMBL4097924 | 0.98 | COL1A1 (0.44) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL14144338 | 0.90 | ACHE (0.44) | COL1A1ACHEP2RX7PPARA | |
| Hydrochloric Acid SCHEMBL4107304 | 0.89 | ACHE (0.43) | COL1A1ACHEP2RX7PPARA |
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 |