Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL26631727 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPTNPSR1PKMHTT | |
| SCHEMBL30691972 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPTNPSR1PKMHTT | |
| SCHEMBL5069542 | 0.80 | MAPT (0.54) | ALDH1A1MAPTNPSR1PKML3MBTL1 | |
| SCHEMBL20096855 | 0.79 | MAPT (0.45) | ALDH1A1MAPTNPSR1PKML3MBTL1 | |
| SCHEMBL6378334 | 0.78 | HTT (0.49) | ALDH1A1MAPTNPSR1PKML3MBTL1 | |
| SCHEMBL11638099 | 0.77 | POLB (0.48) | ALDH1A1MAPTNPSR1PKML3MBTL1 | |
| SCHEMBL5068702 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPTPDE7ATDP1CYP3A4 | |
| SCHEMBL23579968 | 0.76 | MAPT (0.47) | ALDH1A1MAPTNPSR1PKML3MBTL1 | |
| SCHEMBL7653533 | 0.75 | MAPT (0.55) | ALDH1A1MAPTNPSR1PKML3MBTL1 | |
| SCHEMBL2645986 | 0.75 | ABCB1 (0.66) | ALDH1A1MAPTNPSR1HTTHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1319231-A4 | PROGRAMMABLE MOLECULAR DEVICE | UNIV WM MARSH RICE (US) | 2008-11-19 | — | — | EP | disclosed |
| EP-1319231-A1 | PROGRAMMABLE MOLECULAR DEVICE | Wm. MARSH RICE UNIVERSITY (US) | 2003-06-18 | — | — | EP | disclosed |
| US-20030058697-A1 | Programmable molecular device | NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH | 2003-03-27 | — | — | US | disclosed |
| WO-2002009117-A1 | PROGRAMMABLE MOLECULAR DEVICE | WM. MARSH RICE UNIVERSITY (US) | 2002-01-31 | — | — | WO | disclosed |