Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 7/20 | 0.65 |
| ▸ | RARA | P10276 | 2/20 | 0.65 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PLA2G4B | P0C869 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | RARG | P13631 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PLK1 | P53350 | 1/20 | 0.51 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9628578 | 0.97 | TP53 (0.59) | RARBRARAPTPN11TP53TSHR | |
| Hydrochloric Acid SCHEMBL9626706 | 0.95 | TP53 (0.58) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL10490413 | 0.88 | RARB (0.63) | RARBPTPN11TP53TSHRPLA2G4B | |
| SCHEMBL7610607 | 0.87 | RARB (0.83) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL8642272 | 0.87 | RARB (0.83) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL7780778 | 0.86 | RARB (0.51) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL7773772 | 0.86 | RARB (0.51) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL7781305 | 0.86 | RARB (0.51) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL7780542 | 0.86 | RARB (0.51) | RARBRARAPTPN11TP53TSHR | |
| SCHEMBL9626699 | 0.86 | NPC1 (0.56) | RARBRARATP53TSHRPLA2G4B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0188222-B1 | NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1992-04-29 | — | — | EP | disclosed |
| US-4828754-A | TILT-TYPE CHIRAL SMECTIC PHASE | DAINIPPON INK & CHEMICALS, INC. (JP) | 1989-05-09 | — | — | US | disclosed |
| EP-0188222-A2 | Novel liquid cristalline compounds having substituents | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1986-07-23 | — | — | EP | disclosed |