Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL594673 | 0.84 | CYP2A6 (0.39) | KCNH2KCNJ1ALDH1A1CYP2A6KDM4E | |
| SCHEMBL5154589 | 0.80 | CYP2A6 (0.37) | HRH3KCNH2KCNJ1ALDH1A1CYP2A6 | |
| SCHEMBL3457445 | 0.79 | KMT2A (0.36) | HRH3HTR2AHTR2C | |
| SCHEMBL3457557 | 0.77 | LPL (0.41) | RAB9AHTR2AHTR2CALDH1A1TP53 | |
| SCHEMBL2075021 | 0.77 | ALDH1A1 (0.41) | HRH3RAB9AHRH4ALDH1A1KDM4E | |
| SCHEMBL3457590 | 0.77 | ATM (0.42) | HRH3KCNH2HTR1AADRA2AALDH1A1 | |
| SCHEMBL12989225 | 0.77 | POLB (0.39) | KCNH2ADRA2AADRA2CHTR2AHTR2C | |
| SCHEMBL31336176 | 0.75 | NPSR1 (0.42) | RAB9AALDH1A1KDM4E | |
| SCHEMBL31336177 | 0.75 | NPSR1 (0.42) | RAB9AALDH1A1KDM4E | |
| SCHEMBL31336174 | 0.75 | ALDH1A1 (0.38) | HRH3HRH4ALDH1A1KDM4ETP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024232325-A1 | DIOXAZABOROCANE DERIVATIVE | 国立大学法人 東京医科歯科大学 | 2024-11-14 | — | — | WO | claimed |
| WO-2024232325-A1 | DIOXAZABOROCANE DERIVATIVE | 国立大学法人 東京医科歯科大学 | 2024-11-14 | — | — | WO | disclosed |