Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 4/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7107801 | 0.81 | PNP (0.38) | ALDH1A1TRPV3PDCD1CD274PNP | |
| SCHEMBL7652028 | 0.80 | PNP (0.39) | CXCR4TRPV3PDCD1CD274PNP | |
| SCHEMBL7662068 | 0.72 | CXCR4 (0.43) | CXCR4ALDH1A1PDCD1CD274PNP | |
| SCHEMBL21810992 | 0.71 | CYP1A2 (0.58) | ALDH1A1 | |
| SCHEMBL20988058 | 0.71 | HCAR3 (0.48) | ALDH1A1ALOX12CDK2 | |
| SCHEMBL7657692 | 0.71 | CD274 (0.46) | CXCR4ALDH1A1PDCD1CD274PNP | |
| SCHEMBL7654878 | 0.70 | CXCR4 (0.41) | CXCR4ALDH1A1PDCD1CD274PNP | |
| SCHEMBL7662208 | 0.69 | TRPV3 (0.46) | CXCR4TRPV3 | |
| SCHEMBL7110102 | 0.69 | TRPV3 (0.34) | ALDH1A1TRPV3PNP | |
| SCHEMBL7663759 | 0.69 | TYMP (0.35) | ALDH1A1ALOX12PDCD1CD274PNP |
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 |
|---|---|---|---|---|---|---|---|
| US-6399613-B1 | N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES | AVENTIS PHARMA S.A. (FR) | 2002-06-04 | — | — | US | claimed |
| US-6399613-B1 | N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES | AVENTIS PHARMA S.A. (FR) | 2002-06-04 | — | — | US | disclosed |