Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 11/20 | 0.38 |
| ▸ | DRD3 | P35462 | 11/20 | 0.38 |
| ▸ | DRD4 | P21917 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8537183 | 1.00 | OPRK1 (0.38) | OPRK1DRD2DRD3DRD4MEN1 | |
| SCHEMBL6936440 | 0.86 | OPRK1 (0.41) | OPRK1DRD2DRD3DRD4MEN1 | |
| SCHEMBL8777444 | 0.85 | MAPT (0.40) | OPRK1DRD2DRD3DRD4MEN1 | |
| SCHEMBL8770720 | 0.85 | FAAH (0.51) | — | |
| SCHEMBL8777445 | 0.81 | NPC1 (0.41) | KMT2ACYP2D6LMNAMAPTACHE | |
| SCHEMBL8777467 | 0.81 | NPC1 (0.43) | KMT2ACYP2D6LMNAMAPTACHE | |
| SCHEMBL8777450 | 0.80 | MCHR1 (0.38) | MEN1KMT2ALMNAMAPTACHE | |
| SCHEMBL8579057 | 0.77 | MCHR1 (0.41) | LMNAACHE | |
| SCHEMBL9441305 | 0.77 | SPHK1 (0.38) | LMNAMAPTALDH1A1 | |
| SCHEMBL8777453 | 0.76 | RARB (0.41) | MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |