Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9485324 | 1.00 | NPC1 (0.50) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL15419829 | 0.95 | NPC1 (0.46) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL17369466 | 0.85 | CES2 (0.38) | NPC1RAB9AAKR1C3AKR1C1CES2 | |
| SCHEMBL15420271 | 0.83 | NPC1 (0.51) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL8939445 | 0.82 | NPC1 (0.56) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL8939442 | 0.82 | NPC1 (0.56) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL12997531 | 0.82 | CES2 (0.35) | CES2CES1 | |
| Bicarbonate SCHEMBL9629020 | 0.79 | KMO (0.46) | NPC1RAB9ACES2CES1 | |
| SCHEMBL763850 | 0.79 | NPC1 (0.33) | NPC1RAB9AAKR1C3AKR1C1CES2 | |
| SCHEMBL2511155 | 0.78 | NPC1 (0.51) | NPC1RAB9AAKR1C3AKR1C1PDE4A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9605207-B2 | Orthoester derivative, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-03-28 | — | — | US | disclosed |
| EP-2690103-A1 | ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2014-01-29 | — | — | EP | disclosed |
| US-20140021407-A1 | ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2014-01-23 | — | — | US | disclosed |
| US-5230829-A | PHENYLCYCLOHEXANES, AND A LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-27 | — | — | US | disclosed |