Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL11256207 | 0.80 | TP53 (0.36) | — | |
| SCHEMBL1106901 | 0.71 | — | — | |
| SCHEMBL13290568 | 0.71 | CHRNA7 (0.46) | CYP2D6KCNH2HRH3KDM4EALDH1A1 | |
| SCHEMBL6660188 | 0.71 | CHRNA7 (0.46) | CYP2D6KCNH2HRH3KDM4EALDH1A1 | |
| SCHEMBL681912 | 0.71 | CHRNA7 (0.46) | CYP2D6KCNH2HRH3KDM4EALDH1A1 | |
| SCHEMBL13290572 | 0.71 | CHRNA7 (0.46) | CYP2D6KCNH2HRH3KDM4EALDH1A1 | |
| SCHEMBL13290580 | 0.71 | CHRNA7 (0.46) | CYP2D6KCNH2HRH3KDM4EALDH1A1 | |
| SCHEMBL23241046 | 0.70 | TP53 (0.33) | HRH3 | |
| SCHEMBL10092700 | 0.69 | HRH3 (0.41) | CYP2D6KCNH2HRH3 | |
| SCHEMBL22539871 | 0.69 | ALDH1A1 (0.36) | KDM4EALDH1A1 |
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-2021154665-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-05 | — | — | WO | disclosed |