Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 3/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 9/20 | 0.42 |
| ▸ | CDK1 | P06493 | 5/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7208525 | 0.80 | ALDH1A1 (0.46) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL7636488 | 0.78 | CHEK1 (0.44) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL18434151 | 0.74 | CHEK1 (0.67) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL3602280 | 0.74 | MAPT (0.58) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL6242534 | 0.74 | CDK2 (0.65) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL7544095 | 0.70 | FLT3 (0.64) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL7204068 | 0.69 | TNIK (0.62) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL20829123 | 0.68 | HSD17B10 (0.44) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL30713745 | 0.67 | ALDH1A1 (1.00) | ALDH1A1GAAMAPTMEN1TP53 | |
| SCHEMBL21262430 | 0.66 | CDK2 (0.67) | ALDH1A1GAAMAPTMEN1TP53 |
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-1274706-A1 | PYRAZOLES FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001079198-A1 | PYRAZOLES FOR INHIBITING PROTEIN KINASE | AGOURON PHARMACEUTICALS, INC. (US) | 2001-10-25 | — | — | WO | disclosed |