Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 4/20 | 0.50 |
| ▸ | HTR2B | P41595 | 3/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.43 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | MCOLN1 | Q9GZU1 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22432705 | 1.00 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BHRH3CYP2D6 | |
| Hydrochloric Acid SCHEMBL30823789 | 0.98 | SLC18A3 (0.50) | SLC18A3HTR2CHTR2BHRH3CYP2D6 | |
| Hydrochloric Acid SCHEMBL22418694 | 0.98 | SLC18A3 (0.50) | SLC18A3HTR2CHTR2BHRH3CYP2D6 | |
| SCHEMBL29501341 | 0.94 | SLC18A3 (0.53) | SLC18A3HTR2CHTR2BHRH3SLC6A2 | |
| SCHEMBL2657988 | 0.94 | SLC18A3 (0.53) | SLC18A3HTR2CHTR2BHRH3SLC6A2 | |
| Hydrochloric Acid SCHEMBL29877056 | 0.92 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BHRH3SLC6A2 | |
| Hydrochloric Acid SCHEMBL5271851 | 0.92 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BHRH3SLC6A2 | |
| Hydrochloric Acid SCHEMBL16835555 | 0.92 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BHRH3SLC6A2 | |
| Bromide SCHEMBL6423364 | 0.92 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BHRH3SLC6A2 | |
| SCHEMBL6588816 | 0.88 | SLC18A3 (0.51) | SLC18A3HTR2CHTR2BSLC6A2SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |