Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL383262 | 0.73 | GABRA1 (0.48) | GABRA1GABRB2MIF | |
| SCHEMBL457203 | 0.73 | GABRA1 (0.34) | GABRA1GABRB2MIF | |
| SCHEMBL19551128 | 0.71 | GABRA1 (0.33) | GABRA1GABRB2MIF | |
| SCHEMBL17650044 | 0.71 | GABRA1 (0.31) | GABRA1GABRB2 | |
| SCHEMBL8990969 | 0.70 | ABCB11 (0.33) | MIF | |
| SCHEMBL23240165 | 0.70 | GABRA1 (0.32) | GABRA1GABRB2MIF | |
| SCHEMBL11555693 | 0.70 | GABRA1 (0.36) | GABRA1GABRB2MIF | |
| SCHEMBL28374773 | 0.70 | TAAR1 (0.35) | GABRA1GABRB2MIF | |
| SCHEMBL25573712 | 0.70 | GABRA1 (0.36) | GABRA1GABRB2MIF | |
| SCHEMBL1457358 | 0.68 | GABRA1 (0.34) | GABRA1GABRB2MIF |
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 |
|---|---|---|---|---|---|---|---|
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |
| EP-0429558-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE. | MERCK PATENT GMBH (DE) | 1991-06-05 | — | — | EP | disclosed |
| WO-1990008757-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |