Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14589071 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL26957962 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL256347 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL27117248 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL21440591 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL18313245 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL12620808 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL19343100 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL14407323 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1HRH3CHRNB2CHRNB4 | |
| SCHEMBL13201847 | 0.93 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024081345-A1 | BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS | ONKURE, INC. (US) | 2024-04-18 | — | — | WO | disclosed |
| WO-2024054469-A1 | ISOQUINOLONES AS PI3K INHIBITORS | ONKURE, INC. (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2023239710-A1 | BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS | ONKURE, INC. (US) | 2023-12-14 | — | — | WO | disclosed |