Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8148720 | 1.00 | CYP2A6 (0.54) | CYP2A6CYP1A2TDP1APPLMNA | |
| SCHEMBL8153333 | 0.84 | CYP1A2 (0.68) | CYP2A6CYP1A2TDP1LMNAPTPN1 | |
| SCHEMBL8141031 | 0.84 | CYP1A2 (0.68) | CYP2A6CYP1A2TDP1LMNAKMT2A | |
| SCHEMBL21507502 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1LMNAKMT2A | |
| SCHEMBL12227986 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1LMNAPTPN1 | |
| SCHEMBL20802473 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1LMNAKMT2A | |
| SCHEMBL21507506 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1LMNAPTPN1 | |
| SCHEMBL8149748 | 0.75 | CYP2A6 (0.54) | CYP2A6CYP1A2TDP1LMNAPTPN1 | |
| SCHEMBL8148709 | 0.75 | CYP2A6 (0.54) | CYP2A6CYP1A2TDP1LMNAPTPN1 | |
| SCHEMBL170493 | 0.75 | — | — |
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-7198827-B1 | Nematic liquid crystal composition and liquid crystal display device using the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-04-03 | — | — | US | disclosed |
| US-7198827-B1 | Nematic liquid crystal composition and liquid crystal display device using the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-04-03 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |