Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 3/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL16487712 | 0.76 | BRD4 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15034401 | 0.76 | BRD4 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15034405 | 0.76 | BRD4 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL30988189 | 0.73 | CHRNB2 (0.33) | CHRNB2CHRNA4 | |
| SCHEMBL14681906 | 0.72 | POLB (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15032328 | 0.72 | POLB (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15032327 | 0.72 | POLB (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL867969 | 0.71 | — | — | |
| SCHEMBL11523135 | 0.69 | — | — | |
| SCHEMBL12345039 | 0.69 | — | — |
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-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |