Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL12801686 | 0.81 | AKR1C3 (0.48) | AKR1C3KMT2A | |
| SCHEMBL12522397 | 0.79 | CHRNB2 (0.43) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL23716522 | 0.78 | CHRNB2 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12459956 | 0.77 | CHRNB2 (0.45) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL18059328 | 0.77 | CHRNB2 (0.45) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL71823 | 0.77 | NR1H2 (0.54) | SMN1; SMN2KMT2A | |
| SCHEMBL12522292 | 0.74 | PDK2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL19276687 | 0.73 | CHRNB2 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL23729783 | 0.73 | HSD11B1 (0.31) | AKR1C3HSD11B1 | |
| SCHEMBL29889227 | 0.73 | AKR1C3 (0.42) | AKR1C3DRD3PDCD1CD274KMT2A |
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 |