Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.30 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL28296776 | 0.81 | FFAR3 (0.62) | TDP1FFAR3ALDH1A1CHRNB2CHRNA3 | |
| SCHEMBL42679 | 0.79 | — | — | |
| SCHEMBL1887087 | 0.79 | — | — | |
| SCHEMBL2357325 | 0.79 | TDP1 (1.00) | TDP1FFAR3ALDH1A1 | |
| SCHEMBL27386581 | 0.79 | TSHR (0.41) | TDP1FFAR3ALDH1A1CHRNB2CHRNA3 | |
| Cyclohexane SCHEMBL27527139 | 0.76 | TDP1 (0.77) | TDP1FFAR3ALDH1A1 | |
| Cyclopropane SCHEMBL28241954 | 0.76 | — | — | |
| SCHEMBL7628136 | 0.75 | — | — | |
| Fluoride SCHEMBL8001538 | 0.75 | TDP1 (0.91) | TDP1FFAR3ALDH1A1 | |
| SCHEMBL4885950 | 0.75 | — | — |
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-109153649-A | The allosteric modulators of nicotinic acetylcholine receptor | 默沙东公司 | 2019-01-04 | — | — | CN | disclosed |