Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 7/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22790110 | 0.81 | ALDH1A1 (0.43) | KDM4EALDH1A1LMNAHSD17B10HTT | |
| SCHEMBL11392814 | 0.81 | ALDH1A1 (0.74) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL30605634 | 0.81 | ALDH1A1 (0.74) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL11026221 | 0.81 | ALDH1A1 (0.73) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL20521397 | 0.80 | KDM4E (0.45) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL21832889 | 0.79 | KDM4E (0.47) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL22790093 | 0.79 | NR4A2 (0.52) | KDM4EALDH1A1LMNAHPGDBRD4 | |
| SCHEMBL9634547 | 0.78 | KDM4E (0.79) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL8983611 | 0.78 | KDM4E (0.78) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL22790287 | 0.77 | KMT2A (0.42) | KDM4ELMNABRD4NR4A2BRPF1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020249064-A1 | COMPOUNDS FOR MODULATING FXR | NANJING RUIJIE PHARMA CO., LTD. (CN) | 2020-12-17 | — | — | WO | disclosed |