Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GPR88 | Q9GZN0 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9779521 | 1.00 | GPBAR1 (0.49) | GPBAR1FFAR1ESR1ESR2TLR8 | |
| SCHEMBL8912305 | 0.84 | FFAR1 (0.54) | FFAR1ADRB2ADRB1PTGS1SLC6A2 | |
| SCHEMBL6937523 | 0.84 | FFAR1 (0.54) | FFAR1ADRB2ADRB1PTGS1SLC6A2 | |
| SCHEMBL14113223 | 0.83 | GPBAR1 (0.58) | GPBAR1FFAR1TLR8NPC1MCHR1 | |
| SCHEMBL9146689 | 0.83 | NPC1 (0.44) | ESR1ESR2AKR1C3AKR1C2ADRB2 | |
| SCHEMBL9146695 | 0.83 | NPC1 (0.44) | ESR1ESR2AKR1C3AKR1C2ADRB2 | |
| SCHEMBL9586195 | 0.82 | ESR1 (0.39) | ESR1ESR2AKR1C3AKR1C2ADRB2 | |
| SCHEMBL1581657 | 0.81 | GPBAR1 (0.53) | GPBAR1FFAR1ADRB2ADRB1 | |
| SCHEMBL25568721 | 0.81 | GPBAR1 (0.47) | GPBAR1FFAR1TLR8AKR1C3AKR1C2 | |
| SCHEMBL10491669 | 0.81 | AKR1C3 (0.42) | ESR1ESR2AKR1C3AKR1C2ADRB2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10130202-A | — | — | None | — | — | JP | disclosed |
| JP-10139734-A | — | — | None | — | — | JP | disclosed |
| 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 |
| JP-H10139734-A | ESTER COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE | MITSUI CHEM INC | 1998-05-26 | — | — | JP | disclosed |
| JP-H10130202-A | NAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT | MITSUI CHEM INC | 1998-05-19 | — | — | JP | disclosed |
| US-5072021-A | Liquid crystals | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-12-10 | — | — | US | disclosed |