Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | 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 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 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 | |
|---|---|---|---|---|
| SCHEMBL14766775 | 0.93 | CYP1A1 (0.34) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL13586535 | 0.93 | ESR1 (0.35) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL12739472 | 0.91 | CYP1A1 (0.35) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL12718438 | 0.91 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1NFE2L2RELA | |
| SCHEMBL12739460 | 0.91 | CYP1A1 (0.34) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL12739473 | 0.90 | FFAR4 (0.34) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL14766796 | 0.89 | KDM4E (0.34) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL12739461 | 0.89 | NPC1 (0.35) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL12739467 | 0.89 | KDM4E (0.35) | CYP1A1CYP1A2CYP1B1ESR1AHR | |
| SCHEMBL13586598 | 0.88 | FFAR4 (0.35) | CYP1A1CYP1A2CYP1B1ESR1AHR |
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 2 patents. 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 |
| WO-2009150966-A1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |