Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536046 | 1.00 | NPC1 (0.68) | NPC1RAB9AESR2AKR1C3AKR1C1 | |
| SCHEMBL8673400 | 0.89 | AKR1C3 (0.73) | NPC1RAB9AESR2AKR1C3AKR1C1 | |
| Bicarbonate SCHEMBL6206823 | 0.87 | ESR2 (0.68) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| Hydroquinone SCHEMBL9422498 | 0.87 | NPC1 (0.48) | NPC1RAB9AESR2AKR1C3AKR1C1 | |
| Acetic Acid SCHEMBL6249037 | 0.83 | ESR2 (0.67) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL2511695 | 0.83 | NPC1 (0.79) | NPC1RAB9AAKR1C3AKR1C1DEGS1 | |
| SCHEMBL3516198 | 0.83 | NPC1 (0.79) | NPC1RAB9AAKR1C3AKR1C1DEGS1 | |
| SCHEMBL664284 | 0.83 | NPC1 (0.79) | NPC1RAB9AAKR1C3AKR1C1DEGS1 | |
| SCHEMBL19729103 | 0.83 | NPC1 (0.53) | NPC1RAB9AESR2AKR1C3AKR1C1 | |
| SCHEMBL1865798 | 0.82 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 |
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-0465048-B1 | Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method | MITSUI PETROCHEMICAL IND (JP) | 1996-09-11 | — | — | EP | disclosed |
| US-5356561-A | Carboxylate compounds, liquid crystal compositions and liquid crystal elements containing said compounds and method of optical modulation using said elements | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1994-10-18 | — | — | US | disclosed |
| EP-0465048-A2 | Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-08 | — | — | EP | disclosed |