Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL17892431 | 1.00 | HTT (0.37) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL17893390 | 1.00 | HTT (0.37) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL17892801 | 0.89 | SMN1; SMN2 (0.39) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL17896044 | 0.89 | SMN1; SMN2 (0.39) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL16887593 | 0.89 | TP53 (0.42) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL16875576 | 0.89 | TP53 (0.42) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL16875305 | 0.89 | TP53 (0.42) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL28559659 | 0.85 | FFAR3 (0.41) | HTTTP53CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL17893129 | 0.85 | GRM2 (0.47) | ALDH1A1NPSR1CES2CES1L3MBTL1 | |
| SCHEMBL15248834 | 0.85 | GRM2 (0.47) | ALDH1A1NPSR1CES2CES1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3904357-A1 | SPIRO COMPOUND AND MEDICAL USES THEREOF | The National Institutes of Pharmaceutical R&D Co., Ltd (CN) | 2021-11-03 | — | — | EP | disclosed |