Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10049719 | 0.76 | LMNA (0.39) | CDK2LMNA | |
| SCHEMBL17343116 | 0.74 | SLC2A1 (0.34) | DHFRCDK1CCNB1CCNE1CDK2 | |
| SCHEMBL17343117 | 0.70 | KDM4E (0.40) | CDK2 | |
| SCHEMBL1321038 | 0.69 | LMNA (0.43) | DHFRLMNA | |
| SCHEMBL602820 | 0.69 | ALDH1A1 (0.34) | DHFRGHSR | |
| SCHEMBL27282310 | 0.68 | KDM4E (0.34) | LMNA | |
| SCHEMBL8201952 | 0.68 | NUDT1 (0.42) | DHFRNOS3NOS1NOS2 | |
| SCHEMBL13054401 | 0.68 | GCGR (0.36) | — | |
| Hydrochloric Acid SCHEMBL6831032 | 0.67 | LMNA (0.42) | DHFRLMNA | |
| Hydrochloric Acid SCHEMBL27681044 | 0.67 | LMNA (0.42) | DHFRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019134082-A1 | NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS | WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) | 2019-07-11 | — | — | WO | disclosed |
| US-4931487-A | Chain extenders for polyurethanes | DOW CHEMICAL COMPANY | 1990-06-05 | — | — | US | disclosed |