Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7917601 | 0.96 | ALDH1A1 (0.40) | ALDH1A1TSHRHSD17B10MAOBMAOA | |
| SCHEMBL7911089 | 0.92 | TSHR (0.43) | ALDH1A1TSHRHSD17B10MAOBMAOA | |
| SCHEMBL7911916 | 0.91 | ALDH1A1 (0.40) | ALDH1A1TSHRHSD17B10MAOBMAOA | |
| SCHEMBL9337351 | 0.91 | MAOB (0.39) | MAOBMAOAGCGRCETPHRH3 | |
| SCHEMBL9337364 | 0.91 | MAOB (0.39) | MAOBMAOAGCGRCETPHRH3 | |
| SCHEMBL7911249 | 0.89 | CYP2C9 (0.41) | ALDH1A1TSHRHSD17B10MEN1MAPT | |
| SCHEMBL7903777 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10MAOBMAOA | |
| SCHEMBL7911901 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10MAOBMAOA | |
| SCHEMBL7913080 | 0.89 | TSHR (0.40) | ALDH1A1TSHRHSD17B10MAOBMAOA | |
| SCHEMBL7911229 | 0.88 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10MAOBMAOA |
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-0640578-B2 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 2001-06-27 | — | — | EP | disclosed |
| EP-0640578-B1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 1997-11-05 | — | — | EP | disclosed |
| EP-0640578-A1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | Chisso Corporation (JP) | 1995-03-01 | — | — | EP | disclosed |