Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | KDM5A | P29375 | 2/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7518224 | 0.94 | CYP1A2 (0.63) | CYP1A2MAPTKDM5APHF8KDM2A | |
| Butylcyclohexane SCHEMBL9556117 | 0.94 | CYP1A2 (0.75) | CYP1A2MAPTBCHEPOLBHPGD | |
| SCHEMBL9805360 | 0.92 | CYP1A2 (0.61) | CYP1A2KDM5APHF8KDM2AKDM4C | |
| SCHEMBL9153522 | 0.92 | CYP1A2 (0.61) | CYP1A2KDM5APHF8KDM2AKDM4C | |
| Butylcyclohexane SCHEMBL28895865 | 0.92 | CYP1A2 (0.78) | CYP1A2MAPTBCHEKDM5APHF8 | |
| Butylcyclohexane SCHEMBL14718837 | 0.90 | CYP1A2 (0.75) | CYP1A2MAPTBCHEKDM5APHF8 | |
| SCHEMBL8750956 | 0.88 | CYP1A2 (0.65) | CYP1A2BCHESIGMAR1HTTEPHX1 | |
| SCHEMBL9651301 | 0.88 | CYP1A2 (0.52) | CYP1A2BCHEHPGDEPHX1 | |
| Butylcyclohexane SCHEMBL1838223 | 0.86 | CYP1A2 (0.75) | CYP1A2MAPTBCHEPOLBHPGD | |
| Bicarbonate SCHEMBL5183166 | 0.86 | CYP1A2 (0.68) | CYP1A2MAPTKDM5APHF8KDM2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0332007-B1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK PATENT GmbH (DE) | 1992-11-25 | — | — | EP | disclosed |
| EP-0373186-A1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK PATENT GmbH (DE) | 1990-06-20 | — | — | EP | disclosed |
| WO-1989008637-A1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332007-A1 | Derivatives of 2,3-difluorohydroquinone | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| EP-0313604-A1 | ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. | MERCK PATENT GMBH (DE) | 1989-05-03 | — | — | EP | disclosed |
| WO-1988008441-A1 | ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-11-03 | — | — | WO | disclosed |