Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL20997681 | 0.80 | MASP2 (0.39) | LMNAMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL20998018 | 0.78 | OGG1 (0.52) | LMNAMAPTKDM4EALDH1A1CES2 | |
| SCHEMBL20997849 | 0.78 | MAOA (0.42) | MAOBMAOACES2CES1MEN1 | |
| SCHEMBL20997871 | 0.78 | ALDH1A1 (0.40) | LMNAMAPTKDM4EALDH1A1CES2 | |
| SCHEMBL17297753 | 0.78 | HTT (0.47) | LMNAMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL20997692 | 0.77 | MAOA (0.39) | LMNAMAPTKDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL20997912 | 0.76 | CYP2D6 (0.54) | LMNAMAPTKDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL20997879 | 0.75 | CES2 (0.47) | ALDH1A1CES2CES1 | |
| SCHEMBL20997699 | 0.74 | SMN1; SMN2 (0.47) | MAPTKDM4EALDH1A1MAOAKMT2A | |
| SCHEMBL20997910 | 0.74 | CA1 (0.56) | MAPTKDM4EALDH1A1CES2CES1 |
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-3483147-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Innocrin Pharmaceuticals, Inc. (US) | 2019-05-15 | — | — | EP | disclosed |