Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.45 |
| ▸ | GABRE | P78334 | 1/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.45 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.45 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.45 |
| ▸ | NNMT | P40261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL3 | Q96JM7 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2301926 | 0.83 | HDAC1 (0.48) | PIK3CAMTORHDAC1CDK4 | |
| SCHEMBL12426761 | 0.79 | CDK4 (0.51) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12425623 | 0.78 | CDK4 (0.49) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2300794 | 0.77 | HDAC1 (0.52) | HDAC1CDK4 | |
| SCHEMBL12425265 | 0.76 | GABRP (0.46) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6173203 | 0.74 | HPGD (0.59) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12426731 | 0.73 | CDK1 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12425269 | 0.73 | CDK4 (0.50) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL10726108 | 0.73 | HPGD (0.61) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL23089250 | 0.73 | CHRNB2 (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2536730-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |