Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4455704 | 1.00 | KDM4E (0.62) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL23586773 | 0.83 | MAPT (0.45) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL1610046 | 0.80 | MAPT (0.45) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL1610048 | 0.80 | MAPT (0.45) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL20574990 | 0.77 | KDM4E (0.58) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL951176 | 0.77 | ALDH1A1 (1.00) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL31402273 | 0.75 | KDM4E (0.56) | KDM4EALDH1A1SMN1; SMN2KCNJ1MAPT | |
| SCHEMBL12859249 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL2644945 | 0.74 | MAPT (0.48) | KDM4EALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL584903 | 0.74 | MAPT (0.45) | KDM4EALDH1A1SMN1; SMN2MAPTHTT |
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-110139862-B | Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors | 百时美施贵宝公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-110678463-B | Substituted nitrogen-containing compounds | 百时美施贵宝公司 | 2023-06-06 | — | — | CN | disclosed |