Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13373330 | 0.86 | MAPT (0.46) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL27445822 | 0.85 | MAPT (0.56) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL24192686 | 0.82 | PDE2A (0.42) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL24191926 | 0.82 | PDE2A (0.42) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL28209820 | 0.78 | EPHX1 (0.44) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL20954118 | 0.78 | EPHX1 (0.44) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL14511179 | 0.77 | MAPT (0.68) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL14426850 | 0.75 | MAPT (0.46) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL12445185 | 0.74 | MAPT (0.65) | MAPTKDM4ETDP1ALDH1A1APEX1 | |
| SCHEMBL7220759 | 0.73 | MAPT (0.48) | MAPTKDM4ETDP1ALDH1A1APEX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140309186-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION | 2014-10-16 | — | — | US | disclosed |
| US-8288425-B2 | Benzimidazoles | AVENTIS PHARMACEUTICALS INC. (US) | 2012-10-16 | — | — | US | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |