Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 7/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ESRRB | O95718 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESRRA | P11474 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26649477 | 1.00 | DHODH (0.47) | DHODHPLA2G2AADORA3ADORA1HDAC1 | |
| SCHEMBL26649730 | 0.92 | MOK (0.46) | DHODHADORA3ADORA1HDAC1HDAC2 | |
| SCHEMBL26649377 | 0.90 | DHODH (0.54) | DHODHPLA2G2AADORA1HDAC1HDAC2 | |
| SCHEMBL30747799 | 0.90 | DHODH (0.54) | DHODHPLA2G2AADORA1HDAC1HDAC2 | |
| SCHEMBL26649384 | 0.88 | PLA2G2A (0.62) | DHODHPLA2G2AADORA3HDAC1HDAC2 | |
| SCHEMBL30747820 | 0.88 | PLA2G2A (0.62) | DHODHPLA2G2AADORA3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL26649457 | 0.87 | DHODH (0.49) | DHODHPLA2G2AKDM4ELMNAMAPK1 | |
| SCHEMBL26649418 | 0.86 | PDE10A (0.57) | ADORA3ADORA1HDAC1HDAC2HDAC8 | |
| SCHEMBL26649558 | 0.83 | DHODH (0.48) | DHODHADORA1HDAC1HDAC2HDAC8 | |
| SCHEMBL30747809 | 0.81 | PLA2G2A (0.48) | DHODHPLA2G2AHDAC1HDAC2HDAC8 |
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-2023219456-A1 | QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT | 숙명여자대학교 산학협력단 | 2023-11-16 | — | — | WO | claimed |