Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA7 | P43166 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL184993 | 0.87 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28659596 | 0.84 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9626744 | 0.84 | MAPT (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10586688 | 0.84 | MAPT (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30016425 | 0.82 | CA1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL345875 | 0.82 | CA1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31347271 | 0.82 | CA1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1965326 | 0.82 | CA1 (0.73) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16351874 | 0.82 | CA1 (0.73) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4849260 | 0.81 | MAPT (0.56) | CA12CA1CA2CA7CA9 |
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 |