Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.60 |
| ▸ | HPGD | P15428 | 7/20 | 0.60 |
| ▸ | GLA | P06280 | 6/20 | 0.60 |
| ▸ | GAA | P10253 | 6/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20637700 | 0.86 | KDM4E (0.46) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL8494619 | 0.83 | HSD17B3 (0.55) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL8490347 | 0.82 | HSD17B3 (0.54) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL15950101 | 0.81 | HSD17B3 (0.65) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL8497037 | 0.80 | KDM4E (0.55) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL8489971 | 0.80 | KDM4E (0.55) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL8496746 | 0.79 | HSD17B3 (0.54) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL5762694 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL8492707 | 0.76 | AKR1B1 (0.48) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL8495260 | 0.76 | AKR1B1 (0.48) | ALDH1A1KDM4EHPGDGLAGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2838891-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-02-25 | — | — | EP | disclosed |
| EP-2675774-A1 | PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2013-12-25 | — | — | EP | disclosed |
| WO-2013125732-A1 | AROMATIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-29 | — | — | WO | disclosed |
| WO-2012111849-A1 | PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-23 | — | — | WO | disclosed |