Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 11/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26940536 | 1.00 | P2RX3 (0.46) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL31336371 | 1.00 | P2RX3 (0.46) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL3862645 | 0.89 | P2RX3 (0.47) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL31439803 | 0.89 | MCL1 (0.45) | MCL1KCNH2HRH3USP30BCL2 | |
| SCHEMBL29523919 | 0.88 | NR1H2 (0.47) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL30530834 | 0.88 | NR1H2 (0.47) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL24739408 | 0.88 | HRH3 (0.54) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL13481692 | 0.88 | P2RX3 (0.51) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL12589826 | 0.88 | P2RX3 (0.51) | P2RX3NR1H2NR1H3MCL1KCNH2 | |
| SCHEMBL1198567 | 0.88 | P2RX3 (0.51) | P2RX3NR1H2NR1H3MCL1KCNH2 |
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-2023237457-A1 | INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2023-12-14 | — | — | WO | disclosed |