Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.50 |
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9159105 | 1.00 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159091 | 1.00 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893213 | 1.00 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893211 | 1.00 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159110 | 1.00 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9153193 | 0.94 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893796 | 0.94 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893795 | 0.94 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893800 | 0.94 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9153200 | 0.94 | CYP2C9 (0.58) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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-0084974-B1 | CARBOCYCLIC COMPOUNDS WITH LIQUID-CRYSTAL PROPERTIES | Chisso Corporation (JP) | 1986-04-02 | — | — | EP | disclosed |
| US-4477369-A | New high temperature liquid-crystalline substances consisting of 4 or 5 six-member-rings and liquid-crystalline compositions containing same | CHISSO CORPORATION (JP) | 1984-10-16 | — | — | US | disclosed |
| EP-0084974-A1 | Carbocyclic compounds with liquid-crystal properties | Chisso Corporation (JP) | 1983-08-03 | — | — | EP | disclosed |