Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL27879410 | 0.90 | CA14 (0.37) | CA14 | |
| SCHEMBL23778380 | 0.82 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7216489 | 0.77 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL48016 | 0.77 | SLC6A4 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL27848426 | 0.75 | HSD11B1 (0.38) | SLC6A2SLC6A4SLC6A3CA14 | |
| SCHEMBL28441411 | 0.75 | ALDH1A1 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4355418 | 0.75 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6125628 | 0.73 | GPR119 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL135183 | 0.73 | HSD11B1 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL18824762 | 0.72 | HSD11B1 (0.41) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106715435-B | Pyrrolopyrimidine derivatives as NR2B nmda receptor antagonist | 卢郡控股(开曼)有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-106715435-A | Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists | 卢郡控股(开曼)有限公司 | 2017-05-24 | — | — | CN | disclosed |