Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 3/20 | 0.42 |
| ▸ | NOS1 | P29475 | 3/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7468038 | 0.90 | NOS2 (0.58) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL20421664 | 0.88 | NOS2 (0.51) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL15757449 | 0.87 | HSP90AB1 (0.49) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL8523463 | 0.87 | HRH2 (0.47) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL23880688 | 0.85 | CDK1 (0.48) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL28041064 | 0.85 | CDK1 (0.48) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL23880689 | 0.85 | CDK1 (0.48) | NOS2HRH2HRH3KCNH2PDPK1 | |
| SCHEMBL10863598 | 0.84 | NOS2 (0.57) | NOS2HRH2HRH3PDPK1HRH4 | |
| SCHEMBL11595985 | 0.82 | NOS2 (0.58) | NOS2HRH2HRH3PDPK1CDK1 | |
| SCHEMBL30227451 | 0.80 | NOS2 (0.51) | NOS2HRH2HRH3PDPK1CDK1 |
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-2005033085-A1 | PYRIMIDINES DERIVATIVES AS ADENOSINE RECEPTORS LIGANDS | UNIVERSITEIT LEIDEN (NL) | 2005-04-14 | — | — | WO | disclosed |
| EP-0767170-B1 | NOVEL 4,6-DIARYLPYRIMIDINE DERIVATIVES AND SALTS THEREOF | TAIHO PHARMACEUTICAL CO LTD (JP) | 2002-10-23 | — | — | EP | disclosed |