Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042783 | 0.87 | DPP4 (0.38) | DPP4EPHX1 | |
| SCHEMBL8046295 | 0.81 | ALDH1A1 (0.42) | DPP4EPHX1ALDH1A1HTT | |
| SCHEMBL2885387 | 0.80 | DPP4 (0.34) | DPP4EPHX1 | |
| SCHEMBL8039401 | 0.79 | DPP4 (0.33) | DPP4EPHX1 | |
| SCHEMBL8774851 | 0.79 | EPHX1 (0.34) | DPP4EPHX1 | |
| SCHEMBL8042732 | 0.77 | DPP4 (0.36) | DPP4EPHX1 | |
| SCHEMBL8046386 | 0.76 | DPP4 (0.36) | DPP4EPHX1 | |
| SCHEMBL8040022 | 0.75 | DPP4 (0.35) | DPP4EPHX1 | |
| SCHEMBL8040010 | 0.75 | ALDH1A1 (0.42) | EPHX1ALDH1A1 | |
| SCHEMBL2866248 | 0.74 | SRD5A2 (0.34) | DPP4EPHX1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6716491-B2 | BASED ON MIXTURE OF POLAR COMPOUNDS OF POSITIVE DIELECTRIC ANISOTROPY; FOR USE IN MATRIX LIQUID CRYSTAL AND TWISTED/SUPERTWISTED NEMATIC CELLS | MERCK PATENT GMBH (DE) | 2004-04-06 | — | — | US | disclosed |
| US-20020030180-A1 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2002-03-14 | — | — | US | disclosed |