Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COL1A1 | P02452 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | PREP | P48147 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
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 SCHEMBL4098744 | 0.99 | COL1A1 (0.47) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4764328 | 0.85 | ACHE (0.51) | COL1A1ACHEDNMT1KDM1AP2RX7 | |
| Hydrochloric Acid SCHEMBL4110961 | 0.84 | ACHE (0.50) | COL1A1ACHEDNMT1KDM1A | |
| Hydrochloric Acid SCHEMBL4116296 | 0.83 | COL1A1 (0.43) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4772170 | 0.83 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL14131507 | 0.83 | ACHE (0.49) | COL1A1ACHEBCHEDNMT1KDM1A | |
| Hydrochloric Acid SCHEMBL4111743 | 0.82 | COL1A1 (0.47) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4768195 | 0.82 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4770482 | 0.82 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP | |
| SCHEMBL4770654 | 0.82 | COL1A1 (0.45) | COL1A1ACHEKMT2ABCHEPREP |
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 |