Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL22700172 | 0.77 | NOS1 (0.36) | NOS1NOS3NOS2 | |
| SCHEMBL23584318 | 0.61 | HRH4 (0.32) | NOS1CDK1CCNB1CDK2 | |
| SCHEMBL19864859 | 0.60 | — | — | |
| SCHEMBL12293892 | 0.57 | — | — | |
| SCHEMBL21637016 | 0.57 | HPRT1 (0.57) | NOS1HPRT1NOS3NOS2 | |
| SCHEMBL10271926 | 0.54 | KDR (0.35) | NOS1NOS3NOS2 | |
| SCHEMBL13653845 | 0.54 | HEXA (0.41) | NOS3NOS2DHFR | |
| SCHEMBL21772198 | 0.54 | — | — | |
| SCHEMBL22411485 | 0.52 | KDM4E (0.38) | NOS1NOS3NOS2 | |
| Ethylamine SCHEMBL23925800 | 0.52 | CASP1 (0.45) | CDK1CCNB1CCNE1CDK2DHFR |
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-2010130900-A2 | TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS | IPSEN PHARMA S.A.S. (FR) | 2010-11-18 | — | — | WO | disclosed |