Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30281019 | 1.00 | KDM4E (0.45) | KDM4ETSHRALDH1A1GAAGLA | |
| SCHEMBL17555901 | 0.98 | ALDH1A1 (0.47) | KDM4ETSHRALDH1A1GAAGLA | |
| SCHEMBL17555848 | 0.83 | HRH4 (0.53) | KDM4EALDH1A1GAAMAPTGFER | |
| SCHEMBL8745499 | 0.83 | HTR2C (0.53) | — | |
| SCHEMBL30622679 | 0.83 | KDM4E (0.57) | KDM4EALDH1A1GAALMNACYP1A2 | |
| SCHEMBL17583342 | 0.83 | KDM4E (0.57) | KDM4EALDH1A1GAALMNACYP1A2 | |
| SCHEMBL17583291 | 0.82 | SCN10A (0.40) | HTT | |
| SCHEMBL3947341 | 0.77 | ALDH1A1 (0.45) | KDM4ETSHRALDH1A1GAAGLA | |
| SCHEMBL2899027 | 0.77 | DYRK1A (0.46) | KDM4ETSHRALDH1A1GAAGLA | |
| SCHEMBL29508931 | 0.76 | GRIN2D (0.58) | KDM4ETSHRALDH1A1CYP1A2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3538088-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V Biosciences, Inc. (US) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018089904-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. (US) | 2018-05-17 | — | — | WO | disclosed |