Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 7/20 | 0.48 |
| ▸ | ADH1C | P00326 | 5/20 | 0.48 |
| ▸ | PHGDH | O43175 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28872600 | 0.97 | ADH1A (0.50) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| SCHEMBL5703370 | 0.97 | ADH1A (0.50) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| SCHEMBL5703310 | 0.97 | ADH1A (0.50) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| SCHEMBL23038 | 0.97 | ADH1A (0.50) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| Bromide SCHEMBL11846706 | 0.94 | ADH1A (0.48) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2140609 | 0.94 | ADH1A (0.48) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| SCHEMBL516222 | 0.94 | ADH1A (0.46) | ADH1AADH1CPHGDHCYP1A2ALDH1A1 | |
| SCHEMBL2066596 | 0.91 | ADH1A (0.42) | ADH1AADH1CCYP1A2ALDH1A1CYP2D6 | |
| SCHEMBL2065876 | 0.88 | — | — | |
| SCHEMBL14175038 | 0.87 | ADH1A (0.39) | ADH1AADH1CADH4 |
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-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |