Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MMP12 | P39900 | 4/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7917441 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL7913822 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL7913553 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL7913621 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL7911766 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL7914029 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL7917443 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL7913642 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL7917584 | 0.73 | KMT2A (0.38) | ALDH1A1GAA | |
| SCHEMBL7988352 | 0.72 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10MAPTHDAC1 |
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 |