Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30771313 | 0.86 | KDM4E (0.51) | KDM4ETP53CHRM3ALDH1A1LMNA | |
| SCHEMBL31724499 | 0.81 | TP53 (0.60) | KDM4ETP53CHRM3ALDH1A1LMNA | |
| SCHEMBL13192705 | 0.81 | FDPS (0.34) | KDM4ELMNAMAPT | |
| SCHEMBL12462686 | 0.79 | DPP4 (0.33) | KDM4ELMNAMAPT | |
| SCHEMBL19631132 | 0.75 | KDM4E (0.42) | KDM4ETP53CHRM3ALDH1A1LMNA | |
| SCHEMBL20938908 | 0.71 | KDM4E (0.46) | KDM4ETP53CHRM3ALDH1A1LMNA | |
| SCHEMBL944062 | 0.70 | EPHX1 (0.46) | KDM4EEPHX1CA12CA1CA2 | |
| SCHEMBL29290646 | 0.68 | KDM4E (0.42) | KDM4ETP53CHRM3ALDH1A1LMNA | |
| SCHEMBL29295753 | 0.68 | KDM4E (0.41) | KDM4ETP53CHRM3ALDH1A1LMNA | |
| SCHEMBL14655522 | 0.68 | EPHX1 (0.52) | HTTEPHX1 |
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-3210998-A1 | METASTIN DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2017-08-30 | — | — | EP | disclosed |