Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316109 | 0.88 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4ITGB3 | |
| SCHEMBL25364954 | 0.86 | HTT (0.37) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL5724513 | 0.83 | ALDH1A1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4ITGB3 | |
| SCHEMBL23455720 | 0.83 | ITGB3 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4ITGB3 | |
| SCHEMBL23455719 | 0.83 | ITGB3 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4ITGB3 | |
| SCHEMBL30456499 | 0.80 | SYK (0.44) | MAPTSMN1; SMN2HTTATM | |
| SCHEMBL4323360 | 0.80 | ALDH1A1 (0.37) | CHRNB2CHRNB4CHRNA3CHRNA4ITGB3 | |
| SCHEMBL25363634 | 0.78 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4ABCB1 | |
| SCHEMBL4335741 | 0.78 | ITGB3 (0.35) | CHRNB2CHRNB4CHRNA3CHRNA4ITGB3 | |
| SCHEMBL14296506 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2CYP3A4HTT |
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-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |