Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23257193 | 1.00 | HDAC3 (0.37) | HDAC3HDAC1HDAC2NCOR2CASR | |
| SCHEMBL23257355 | 0.86 | CALCB (0.36) | TDP1CYP2C9CYP2C19TSHRFDFT1 | |
| SCHEMBL3406057 | 0.81 | HDAC3 (0.39) | HDAC3HDAC1HDAC2NCOR2CASR | |
| SCHEMBL23257407 | 0.81 | HTR2C (0.40) | CTSLCTSBCTSSTDP1ITGA4 | |
| SCHEMBL29814171 | 0.81 | HTR2C (0.40) | CTSLCTSBCTSSTDP1ITGA4 | |
| SCHEMBL23257192 | 0.80 | CYP2C9 (0.36) | TDP1ITGA4ITGB7AKT1CYP2C9 | |
| SCHEMBL20565289 | 0.79 | HDAC3 (0.38) | HDAC3HDAC1HDAC2NCOR2CASR | |
| SCHEMBL3398769 | 0.77 | CA2 (0.46) | — | |
| SCHEMBL20564929 | 0.75 | MEN1 (0.42) | HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL23244731 | 0.75 | GYS1 (0.38) | CYP2C9CYP2C19TSHR |
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-110891951-B | Compounds of formula (I) | 谢菲尔德大学 | 2024-08-20 | — | — | CN | disclosed |