Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSE | P14091 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 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 | |
|---|---|---|---|---|
| SCHEMBL28420085 | 1.00 | HTR6 (0.37) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL28413460 | 0.92 | HTR6 (0.37) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL28418218 | 0.92 | HTR6 (0.37) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL17544176 | 0.92 | GHSR (0.35) | ALDH1A1L3MBTL1LMNAMAPT | |
| SCHEMBL17542786 | 0.92 | GHSR (0.35) | ALDH1A1L3MBTL1LMNAMAPT | |
| SCHEMBL28418432 | 0.88 | HTR6 (0.34) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL28418880 | 0.88 | HTR6 (0.35) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL28413288 | 0.88 | HTR6 (0.35) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL28416421 | 0.88 | KDM1A (0.35) | HTR6P2RX3BACE1KDM1AALDH1A1 | |
| SCHEMBL17542932 | 0.83 | GHSR (0.34) | ALDH1A1L3MBTL1LMNAMAPT |
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-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |