Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
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 SCHEMBL16563595 | 0.98 | PDE2A (0.59) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL17781282 | 0.98 | PDE2A (0.59) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16563378 | 0.85 | PDE2A (0.47) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL16564174 | 0.82 | SLC6A4 (0.45) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16563163 | 0.81 | PDE2A (0.46) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21514785 | 0.81 | PDE2A (0.46) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL20303163 | 0.79 | PDE2A (0.45) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL20303164 | 0.79 | PDE2A (0.45) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1729345 | 0.77 | PDE2A (0.54) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2021163 | 0.77 | PDE2A (0.54) | PDE2AALDH1A1SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104245698-B | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-11-30 | — | — | CN | disclosed |