Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4126403 | 0.84 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL4193999 | 0.81 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL16428475 | 0.76 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL778445 | 0.75 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL11308516 | 0.75 | TSHR (0.44) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL779223 | 0.74 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL11325271 | 0.74 | TSHR (0.47) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL29034876 | 0.73 | CA2 (0.48) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL777952 | 0.73 | L3MBTL1 (0.44) | ALDH1A1L3MBTL1CA2CA4CA5A | |
| SCHEMBL23084591 | 0.72 | TSHR (0.62) | ALDH1A1TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7291478-B1 | Rapid screening and analysis of present and potential nerve agents and their degradation products | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2007-11-06 | — | — | US | disclosed |