Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 15/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2070951 | 0.93 | KDM4E (0.52) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL2071743 | 0.75 | KDM4E (0.58) | KDM4EALDH1A1HPGDGAAGLA | |
| Butane SCHEMBL4657238 | 0.75 | KDM4E (0.57) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL2070066 | 0.75 | KDM4E (0.51) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL2070173 | 0.74 | KDM4E (0.48) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL2069234 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL2071119 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL20141379 | 0.67 | MAPT (0.42) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL2070816 | 0.66 | CRHR1 (0.39) | — | |
| SCHEMBL21318015 | 0.65 | KDM4E (0.58) | KDM4EALDH1A1HPGDGAAGLA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732541-A4 | CYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2008-03-05 | — | — | EP | disclosed |
| EP-1732541-A2 | CYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005099688-A2 | CYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-10-27 | — | — | WO | disclosed |