Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 16/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 13/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 13/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 13/20 | 0.60 |
| ▸ | CHRNA7 | P36544 | 13/20 | 0.60 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12426757 | 0.85 | CHRNB2 (0.44) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12425265 | 0.80 | GABRP (0.46) | CHRNA4CHRNB2CHRNA3L3MBTL3L3MBTL1 | |
| SCHEMBL12425404 | 0.78 | L3MBTL3 (0.51) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13403401 | 0.78 | SIGMAR1 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12425358 | 0.78 | CHRNB2 (0.64) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL21245555 | 0.77 | NPC1 (0.60) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12425361 | 0.77 | GABRP (0.46) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12425333 | 0.77 | CDK4 (0.44) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12858710 | 0.75 | CHRNA4 (1.00) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6173203 | 0.75 | HPGD (0.59) | L3MBTL3L3MBTL1GABRPGABRDGABRA1 |
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 |