Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 6/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16258761 | 0.81 | HCAR2 (0.37) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL2075200 | 0.76 | KDM4E (0.39) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL30644287 | 0.76 | KDM4E (0.39) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL16258637 | 0.76 | HCAR2 (0.34) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL31138381 | 0.73 | KDM4E (0.44) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL7977529 | 0.73 | KDM4E (0.37) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL9460903 | 0.73 | DHFR (0.47) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL2259050 | 0.73 | SLC6A2 (0.46) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL16258636 | 0.72 | KDM4E (0.42) | KDM4EALDH1A1TDP1L3MBTL1MAPT | |
| SCHEMBL2800678 | 0.72 | IDO1 (0.41) | KDM4EALDH1A1L3MBTL1MAPTIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2805947-A1 | PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF | Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) | 2014-11-26 | — | — | EP | disclosed |