Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL398275 | 0.83 | ACE (0.54) | ACEPOLBKMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL7355166 | 0.81 | SMN1; SMN2 (0.32) | ACEMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| Water SCHEMBL28388741 | 0.80 | ALDH1A1 (0.33) | MEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL887073 | 0.76 | ACE (0.40) | ACEALOX15FAAH | |
| SCHEMBL9000514 | 0.75 | CYP3A4 (0.37) | KDM4EMEN1MAPTKMT2AL3MBTL1 | |
| SCHEMBL16527291 | 0.75 | TSHR (0.42) | ACEKDM4ETSHRFAAHITGB3 | |
| SCHEMBL6560268 | 0.75 | TDP1 (0.46) | ACEMAPK1KDM4EMEN1POLB | |
| SCHEMBL6560275 | 0.75 | TDP1 (0.46) | ACEMAPK1KDM4EMEN1POLB | |
| SCHEMBL6560272 | 0.75 | TDP1 (0.46) | ACEMAPK1KDM4EMEN1POLB | |
| SCHEMBL2922550 | 0.74 | FAAH (0.34) | POLBMAPTKMT2ATSHRFAAH |
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-1812484-B1 | CORE-SHELL PARTICLES | MERCK PATENT GMBH (DE) | 2008-12-03 | — | — | EP | claimed |