Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL14395584 | 0.79 | KDM4E (0.58) | KDM4ESMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL21407557 | 0.78 | SMN1; SMN2 (0.44) | KDM4ESMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL14395709 | 0.76 | KMT2A (0.46) | KDM4ESMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL11528365 | 0.72 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1MAPTGAAKMT2A | |
| SCHEMBL91998 | 0.72 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1MAPTGAAKMT2A | |
| SCHEMBL7296406 | 0.71 | MAPT (0.53) | KDM4ESMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL7296409 | 0.71 | MAPT (0.53) | KDM4ESMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL14395714 | 0.71 | PTGS2 (0.44) | KDM4ESMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL31565026 | 0.71 | LMNA (0.46) | KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL92088 | 0.71 | LMNA (0.46) | KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A |
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-1242426-B1 | GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS | MERCK & CO INC (US) | 2007-10-31 | — | — | EP | disclosed |