Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.35 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11915747 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRLMNAHSD17B10CHRM5 | |
| SCHEMBL12120499 | 0.75 | SLC6A4 (0.36) | ALDH1A1TSHRCHRM3 | |
| SCHEMBL21038765 | 0.74 | SLC6A2 (0.37) | — | |
| SCHEMBL22989712 | 0.72 | NR1H2 (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL30223719 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TSHRLMNAHSD17B10CHRM5 | |
| SCHEMBL65062 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TSHRLMNAHSD17B10CHRM5 | |
| SCHEMBL19227469 | 0.69 | DRD3 (0.41) | ALDH1A1 | |
| SCHEMBL21641235 | 0.69 | ALDH1A1 (0.42) | ALDH1A1TSHRLMNAHSD17B10CHRM5 | |
| Hydrochloric Acid SCHEMBL31405516 | 0.69 | ALDH1A1 (0.39) | ALDH1A1TSHRLMNAHSD17B10CHRM5 | |
| SCHEMBL27695724 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNAHSD17B10CHRM5 |
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-2021027943-A1 | PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF | 正大天晴药业集团南京顺欣制药有限公司 | 2021-02-18 | — | — | WO | disclosed |