Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | POLA1 | P09884 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL609326 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL460357 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KDM4ERXFP1CDK2 | |
| SCHEMBL11498403 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL9516025 | 0.78 | — | — | |
| SCHEMBL1079075 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL8607904 | 0.72 | ALDH1A1 (0.41) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL3044447 | 0.72 | ALDH1A1 (0.41) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL3054589 | 0.71 | ALDH1A1 (0.40) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL31618832 | 0.70 | ALDH1A1 (0.47) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL8708640 | 0.69 | ALDH1A1 (0.38) | ALDH1A1KDM4ERXFP1CDK2PAK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0338887-B1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMA (US) | 1993-12-08 | — | — | EP | disclosed |
| EP-0338887-B1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMA (US) | 1993-12-08 | — | — | EP | disclosed |
| US-4988680-A | Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-29 | — | — | US | disclosed |
| US-4988680-A | Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-29 | — | — | US | disclosed |
| EP-0338887-A1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-10-25 | — | — | EP | disclosed |
| EP-0338168-A1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-10-25 | — | — | EP | disclosed |
| EP-0338887-A1 | Phosphonoalkylpurine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-10-25 | — | — | EP | disclosed |