Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9503640 | 1.00 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL9764291 | 0.98 | CYP1A2 (0.40) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL9764299 | 0.98 | CYP1A2 (0.40) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL9764297 | 0.98 | CYP1A2 (0.40) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL7757757 | 0.95 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL7757760 | 0.95 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL7917379 | 0.95 | MEN1 (0.37) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL9763949 | 0.95 | MEN1 (0.37) | CYP1A2LMNAMAPK1HTTHRH3 | |
| SCHEMBL9763484 | 0.94 | CYP3A4 (0.37) | CYP1A2HTTPTGS2CYP3A4KMT2A | |
| SCHEMBL9763787 | 0.94 | CYP3A4 (0.37) | CYP1A2HTTPTGS2CYP3A4KMT2A |
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-0387032-B1 | TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME | CHISSO CORP (JP) | 1993-06-16 | — | — | EP | disclosed |
| US-5032313-A | Trifluorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1991-07-16 | — | — | US | disclosed |
| EP-0387032-A1 | Trifluorobenzene derivatives and liquid crystal compositions containing the same | Chisso Corporation (JP) | 1990-09-12 | — | — | EP | disclosed |