Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9700051 | 1.00 | MAPT (0.60) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL6650961 | 0.87 | ALDH1A1 (0.51) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL6655844 | 0.87 | ADRB2 (0.51) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL12903608 | 0.86 | ADRB2 (0.54) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL19134456 | 0.85 | ADRB2 (0.53) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL7130973 | 0.85 | MAPT (0.76) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL6937249 | 0.85 | MAPT (0.76) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL7130965 | 0.85 | MAPT (0.76) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL6934860 | 0.84 | ESR1 (0.50) | MAPTADRB2ADRB1ADRB3ESR1 | |
| SCHEMBL14996411 | 0.83 | PTPN1 (0.49) | ADRB2ADRB1ADRB3ESR1CA12 |
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 5 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 |
| US-5495037-A | MESOGENIC SIDE CHAINS | NATIONAL SCIENCE COUNCIL (TW) | 1996-02-27 | — | — | US | disclosed |
| US-5072021-A | Liquid crystals | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-12-10 | — | — | US | disclosed |