Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644178 | 1.00 | LIPG (0.47) | LIPGMAPTCYP3A4KDM4EUSP2 | |
| SCHEMBL11476341 | 0.89 | LIPG (0.45) | LIPGMAPTKDM4EHSD17B10ALOX5 | |
| Mannitol SCHEMBL28869021 | 0.87 | LIPG (0.40) | LIPGMAPTCYP3A4KDM4EUSP2 | |
| SCHEMBL3245008 | 0.86 | CNR2 (0.41) | KDM4EALDH1A1GAAHPGDTHRB | |
| SCHEMBL11779245 | 0.84 | LIPG (0.57) | LIPGMAPTCYP3A4KDM4EUSP2 | |
| SCHEMBL30537736 | 0.84 | LIPG (0.57) | LIPGMAPTCYP3A4KDM4EUSP2 | |
| SCHEMBL13277570 | 0.84 | SIGMAR1 (0.44) | MAPT | |
| SCHEMBL3674865 | 0.83 | LIPG (0.52) | LIPGMAPTCYP3A4NR1H2NR1H3 | |
| SCHEMBL3677393 | 0.82 | LIPG (0.53) | LIPGMAPTCYP3A4KDM4EUSP2 | |
| SCHEMBL13469710 | 0.82 | SIGMAR1 (0.42) | MAPTTDP1 |
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-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |