Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9277677 | 1.00 | KCNN4 (0.40) | KCNN4KCNE1KCNQ1PDK2ALDH1A1 | |
| SCHEMBL28994163 | 0.83 | KCNN4 (0.38) | KCNN4KCNE1KCNQ1PDK2ALDH1A1 | |
| SCHEMBL9451586 | 0.79 | KCNN4 (0.41) | KCNN4KCNE1KCNQ1ALDH1A1CES2 | |
| SCHEMBL17398578 | 0.77 | APOBEC3G (0.41) | PDK2ALDH1A1 | |
| SCHEMBL27321412 | 0.77 | ACHE (0.37) | KCNN4KCNE1KCNQ1KIF11SLC22A12 | |
| SCHEMBL9277822 | 0.77 | TAAR1 (0.41) | KCNN4KCNE1KCNQ1ALDH1A1KIF11 | |
| SCHEMBL9278300 | 0.76 | KCNN4 (0.41) | KCNN4PDK2ALDH1A1KIF11PDK1 | |
| SCHEMBL2139453 | 0.76 | KCNN4 (0.39) | KCNN4KCNE1KCNQ1PDK2ALDH1A1 | |
| SCHEMBL30360667 | 0.76 | CA1 (0.46) | PDK2ALDH1A1PDK1PDK3PDK4 | |
| SCHEMBL15314792 | 0.76 | ACHE (0.38) | PDK2ALDH1A1KIF11PDK1PDK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |
| WO-2022262691-A1 | HETEROCYCLIC COMPOUNDS AS SOS1 INHIBITORS | BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) | 2022-12-22 | — | — | WO | disclosed |