Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | CAMKK1 | Q8N5S9 | 2/20 | 0.32 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14766796 | 0.93 | KDM4E (0.34) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL13586591 | 0.93 | CYP1A1 (0.37) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL14766156 | 0.93 | HMOX1 (0.35) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL14766514 | 0.92 | CYP1A1 (0.32) | CYP1A1CYP1A2CYP1B1MEN1NPC1 | |
| SCHEMBL12739472 | 0.91 | CYP1A1 (0.35) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL12739460 | 0.91 | CYP1A1 (0.34) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL14766698 | 0.90 | CYP1A1 (0.31) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL14767175 | 0.90 | AHR (0.34) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL12739473 | 0.90 | FFAR4 (0.34) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL14766531 | 0.89 | AHR (0.34) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394294-B2 | Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-12 | — | — | US | disclosed |