Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530770 | 1.00 | TUBB1 (0.49) | TUBB1KDM4ELMNACYP3A4ALDH1A1 | |
| SCHEMBL12214065 | 0.87 | RELA (0.61) | TUBB1KDM4ELMNACYP3A4ALDH1A1 | |
| SCHEMBL8028775 | 0.87 | RELA (0.61) | TUBB1KDM4ELMNACYP3A4ALDH1A1 | |
| SCHEMBL11672988 | 0.87 | RELA (0.61) | TUBB1KDM4ELMNACYP3A4ALDH1A1 | |
| SCHEMBL8531433 | 0.87 | CYP3A4 (0.50) | TUBB1KDM4ELMNACYP3A4ALDH1A1 | |
| SCHEMBL8531435 | 0.87 | CYP3A4 (0.50) | TUBB1KDM4ELMNACYP3A4ALDH1A1 | |
| SCHEMBL8528532 | 0.85 | MAOB (0.58) | TUBB1KDM4ELMNAALDH1A1TP53 | |
| SCHEMBL8528533 | 0.85 | MAOB (0.58) | TUBB1KDM4ELMNAALDH1A1TP53 | |
| SCHEMBL8530864 | 0.84 | LMNA (0.47) | KDM4ELMNACYP3A4ALDH1A1TP53 | |
| SCHEMBL8530861 | 0.84 | LMNA (0.47) | KDM4ELMNACYP3A4ALDH1A1TP53 |
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-0733610-B1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | CHISSO CORP (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5635108-A | A HEXYNEDIENE DERIVATIVE | CHISSO CORPORATION (JP) | 1997-06-03 | — | — | US | disclosed |
| EP-0733610-A1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | Chisso Corporation (JP) | 1996-09-25 | — | — | EP | disclosed |