Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PNLIP | P16233 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698645 | 1.00 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EKMT2AL3MBTL1 | |
| SCHEMBL9458665 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4EKMT2AL3MBTL1 | |
| SCHEMBL9458305 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4EKMT2AL3MBTL1 | |
| SCHEMBL9458329 | 0.92 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4EKMT2AL3MBTL1 | |
| SCHEMBL9458672 | 0.88 | TSHR (0.50) | ALDH1A1TSHRKDM4EKMT2AL3MBTL1 | |
| SCHEMBL9156502 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRPNLIPHSD17B3CA12 | |
| SCHEMBL6858916 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRPNLIPHSD17B3CA12 | |
| SCHEMBL6940362 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRPNLIPHSD17B3CA12 | |
| SCHEMBL8203333 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRPNLIPHSD17B3CA12 | |
| SCHEMBL1262159 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRPNLIPHSD17B3CA12 |
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 |
|---|---|---|---|---|---|---|---|
| JP-1031749-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 |
| US-5072021-A | Liquid crystals | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-12-10 | — | — | US | disclosed |