Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | RARA | P10276 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.48 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990702 | 0.93 | PTPN7 (0.54) | CYP2D6CYP3A4FAAHTSHRCYP2C19 | |
| SCHEMBL7176783 | 0.87 | CYP2D6 (0.59) | CYP2D6CYP3A4FAAHTSHRCYP2C19 | |
| SCHEMBL13038238 | 0.86 | RARB (0.51) | CYP2D6CYP3A4TSHRCYP2C19CYP19A1 | |
| SCHEMBL9664933 | 0.86 | CYP3A4 (0.58) | CYP2D6CYP3A4CYP2C19CYP19A1CYP2C9 | |
| SCHEMBL9664787 | 0.86 | CYP3A4 (0.62) | CYP2D6CYP3A4TSHRCYP2C19CYP19A1 | |
| SCHEMBL8990660 | 0.86 | NQO1 (0.52) | CYP2D6TSHRCYP2C19CYP1A2MEN1 | |
| SCHEMBL8990694 | 0.86 | NQO1 (0.52) | CYP2D6TSHRCYP2C19CYP1A2MEN1 | |
| SCHEMBL11384850 | 0.85 | CYP3A4 (0.61) | CYP2D6CYP3A4TSHRCYP2C19CYP19A1 | |
| SCHEMBL17897414 | 0.85 | CYP3A4 (0.61) | CYP2D6CYP3A4CYP2C19CYP19A1CYP2C9 | |
| SCHEMBL16440941 | 0.85 | MAOB (0.58) | — |
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-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 |