Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | PLK4 | O00444 | 1/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 4/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.47 |
| ▸ | RET | P07949 | 2/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | JAK3 | P52333 | 2/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11887927 | 0.81 | ALDH1A1 (0.53) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL11887920 | 0.81 | NPC1 (0.58) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL11887932 | 0.81 | MAPT (0.54) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL12715445 | 0.80 | MAPT (0.48) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL4995960 | 0.79 | MAPT (0.51) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL11887928 | 0.79 | MAPT (0.51) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL4995955 | 0.79 | MAPT (0.51) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL11887939 | 0.78 | MAPT (0.56) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL11887912 | 0.78 | MAPT (0.50) | MAPTALDH1A1NPSR1KDM4EPKM | |
| SCHEMBL3811532 | 0.77 | MAPT (0.58) | MAPTALDH1A1NPSR1KDM4EPKM |
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-7970581-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-20100241412-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |