Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 13/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30117202 | 0.91 | TLR7 (0.42) | TLR7CYP3A4CYP2D6KCNH2 | |
| SCHEMBL23711660 | 0.91 | TLR7 (0.42) | TLR7CYP3A4CYP2D6KCNH2 | |
| SCHEMBL23732029 | 0.89 | PTGER1 (0.36) | TLR7CYP3A4CYP2D6KCNH2PTGER1 | |
| SCHEMBL30111847 | 0.89 | PTGER1 (0.36) | TLR7CYP3A4CYP2D6KCNH2PTGER1 | |
| SCHEMBL23711694 | 0.83 | TLR7 (0.42) | TLR7CYP3A4CYP2D6KCNH2 | |
| SCHEMBL26412742 | 0.83 | TSHR (0.36) | TLR7CYP3A4CYP2D6KCNH2PTGER1 | |
| SCHEMBL23718900 | 0.83 | TLR7 (0.44) | TLR7CYP3A4CYP2D6KCNH2 | |
| SCHEMBL23703482 | 0.83 | TLR7 (0.42) | TLR7CYP3A4CYP2D6KCNH2 | |
| SCHEMBL21660353 | 0.82 | GAA (0.44) | ALDH1A1POLBTSHR | |
| SCHEMBL23732027 | 0.81 | TLR7 (0.36) | TLR7CYP3A4CYP2D6KCNH2PTGER1 |
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-2021154667-A1 | C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-05 | — | — | WO | disclosed |