Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11124045 | 0.88 | TSHR (0.40) | TSHRADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL27577140 | 0.83 | KDM4E (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL11923501 | 0.83 | TSHR (0.50) | TSHRADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL29868676 | 0.78 | KDM4E (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL7759078 | 0.78 | KDM4E (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL11922776 | 0.78 | HRH4 (0.41) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL4764699 | 0.77 | MEN1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL27996594 | 0.77 | MEN1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL14507195 | 0.73 | HRH4 (0.46) | SIGMAR1 | |
| SCHEMBL22431952 | 0.73 | TSHR (0.48) | TSHRADRA2AADRA2BADRA2CALDH1A1 |
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-2023132606-A1 | NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS | 주식회사 이노보테라퓨틱스 | 2023-07-13 | — | — | WO | disclosed |