Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 2/20 | 0.33 |
| ▸ | ADH1A | P07327 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 6/20 | 0.32 |
| ▸ | HTR2C | P28335 | 6/20 | 0.32 |
| ▸ | HTR2B | P41595 | 6/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10109611 | 0.92 | ALDH1A1 (0.44) | ALDH1A1ADH1CADH1ATDP1HTR2A | |
| SCHEMBL21316451 | 0.87 | ALDH1A1 (0.33) | ALDH1A1ADH1CADH1AHTR2AHTR2C | |
| SCHEMBL1678600 | 0.84 | — | — | |
| SCHEMBL9359755 | 0.81 | ALDH1A1 (0.40) | ALDH1A1ADH1CADH1AHTR2AHTR2C | |
| Ammonia Solution, Strong SCHEMBL29080997 | 0.81 | — | — | |
| SCHEMBL12036975 | 0.81 | ADH1A (0.46) | ALDH1A1ADH1CADH1ATDP1HRH3 | |
| SCHEMBL284507 | 0.81 | — | — | |
| SCHEMBL661220 | 0.80 | TDP1 (0.42) | ADH1CADH1ATDP1 | |
| SCHEMBL613375 | 0.80 | — | — | |
| SCHEMBL20733112 | 0.78 | ADH1A (0.50) | ALDH1A1ADH1CADH1ATDP1HTR2A |
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-2019062657-A1 | NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 北京越之康泰生物医药科技有限公司 | 2019-04-04 | — | — | WO | disclosed |