Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL18435732 | 0.98 | BTK (0.41) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL6154139 | 0.92 | BTK (0.39) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL2303235 | 0.90 | BTK (0.38) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL6926352 | 0.90 | CHRM2 (0.40) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL12968568 | 0.90 | CHRM2 (0.40) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL21159154 | 0.82 | ALDH1A1 (0.44) | BTKHRH3HPGDKMT2A | |
| SCHEMBL6121092 | 0.82 | ALDH1A1 (0.44) | BTKHRH3HPGDKMT2A | |
| SCHEMBL18906437 | 0.80 | CHRM2 (0.37) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL3637877 | 0.80 | BTK (0.44) | BTKCHRM2CHRM1CHRM3PREP | |
| SCHEMBL2450476 | 0.79 | BTK (0.44) | BTKCHRM2CHRM1CHRM3PREP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023056951-A1 | ARYL-SUBSTITUTED HETEROCYCLIC COMPOUND | 杭州德睿智药科技有限公司 | 2023-04-13 | — | — | WO | disclosed |
| EP-4136090-A1 | CRYSTALLINE RET INHIBITOR | Loxo Oncology, Inc. (US) | 2023-02-22 | — | — | EP | disclosed |
| WO-2021211380-A1 | CRYSTALLINE RET INHIBITOR | LOXO ONCOLOGY, INC. (US) | 2021-10-21 | — | — | WO | disclosed |