Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2300794 | 0.85 | HDAC1 (0.52) | CDK4HDAC1KMT2AMEN1JAK1 | |
| SCHEMBL2301926 | 0.81 | HDAC1 (0.48) | CDK4HDAC1KMT2AMEN1CHRM1 | |
| SCHEMBL29230240 | 0.80 | RAB9A (0.72) | RAB9AGAAKMT2AHPGDMEN1 | |
| SCHEMBL31697610 | 0.80 | RAB9A (0.72) | RAB9AGAAKMT2AHPGDMEN1 | |
| SCHEMBL12425424 | 0.79 | HDAC1 (0.49) | HDAC1 | |
| SCHEMBL2304154 | 0.78 | GABRP (0.45) | CDK4HDAC1HPGDMTORADRA1A | |
| SCHEMBL12425364 | 0.77 | HDAC1 (0.52) | RAB9AHDAC1KMT2AMEN1NPSR1 | |
| SCHEMBL12425269 | 0.77 | CDK4 (0.50) | CDK4HDAC1MTORADRA1AGABRP | |
| SCHEMBL12426761 | 0.75 | CDK4 (0.51) | CDK4HDAC1HPGDMTORGABRP | |
| SCHEMBL12426731 | 0.72 | CDK1 (0.47) | CDK4HDAC1HPGDMTORGABRP |
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 |