Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12919049 | 0.82 | GPR52 (0.57) | MAPK1CNR2TP53POLBMAPT | |
| SCHEMBL12919079 | 0.81 | GPR52 (0.56) | OPRM1TMEM97SIGMAR1MAPK1TP53 | |
| SCHEMBL963885 | 0.81 | F10 (0.51) | SIGMAR1MAPK1TP53POLBMAPT | |
| SCHEMBL12919083 | 0.80 | GPR52 (0.56) | TMEM97SIGMAR1MAPK1TP53POLB | |
| SCHEMBL12919080 | 0.80 | GPR52 (0.57) | OPRM1TMEM97SIGMAR1MAPK1TP53 | |
| SCHEMBL958484 | 0.79 | PTGDR (0.52) | MAPK1POLBMAPTKDM4EALDH1A1 | |
| SCHEMBL959496 | 0.78 | NPC1 (0.48) | TP53MAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL12919098 | 0.78 | GPR52 (0.58) | OPRM1TMEM97SIGMAR1MAPK1TP53 | |
| SCHEMBL12919095 | 0.78 | GPR52 (0.56) | MAPK1TP53POLBMAPTKDM4E | |
| SCHEMBL12919063 | 0.77 | GPR52 (0.60) | MAPK1TP53POLBMAPTKDM4E |
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-2253618-A1 | COMPOUND HAVING 6-MEMBERED AROMATIC RING | Takeda Pharmaceutical Company Limited (JP) | 2010-11-24 | — | — | EP | disclosed |