Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28819174 | 0.95 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| Acetic Acid SCHEMBL28992502 | 0.92 | ALDH1A1 (0.45) | ALDH1A1TSHRHSD17B10TDP1 | |
| Bicarbonate SCHEMBL27841954 | 0.92 | ALDH1A1 (0.45) | ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL53 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRHSD17B10TDP1 | |
| Chloromethane SCHEMBL28080032 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL28138601 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| Water SCHEMBL28182624 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL28095870 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL28296346 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL27857212 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103517910-B | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 沃泰克斯药物股份有限公司 | 2016-12-14 | — | — | CN | disclosed |