Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16031831 | 0.71 | SLC6A3 (0.58) | HSD17B2SLC6A3GLASMN1; SMN2SLC6A2 | |
| SCHEMBL28790737 | 0.69 | SLC6A3 (0.49) | SLC6A3ALDH1A1SLC6A2MAPTTP53 | |
| SCHEMBL28046393 | 0.69 | SIGMAR1 (0.47) | HSD17B2GLASIGMAR1ALDH1A1KDM4E | |
| SCHEMBL27779013 | 0.63 | HDAC2 (0.38) | — | |
| SCHEMBL22265771 | 0.63 | SLC6A4 (0.49) | GLASMN1; SMN2SIGMAR1ALDH1A1KDM4E | |
| SCHEMBL29350841 | 0.62 | GRIK1 (0.53) | GLAALDH1A1KDM4EGAAMAPT | |
| SCHEMBL14125484 | 0.62 | GRIK1 (0.53) | GLAALDH1A1KDM4EGAAMAPT | |
| SCHEMBL28263108 | 0.62 | SLC6A3 (0.41) | SLC6A3ALDH1A1SLC6A2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL14053580 | 0.61 | GRIK1 (0.54) | GLAALDH1A1KDM4EGAAMAPT | |
| SCHEMBL2246925 | 0.61 | LTA4H (0.43) | SIGMAR1SLC6A2MAPTL3MBTL1 |
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-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |