Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 2/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10704098 | 1.00 | CYP1A2 (0.58) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL8208418 | 1.00 | CYP1A2 (0.58) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10486359 | 1.00 | CYP1A2 (0.58) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10705142 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL8215680 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10486268 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL8217261 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10486416 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10486267 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL8212001 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-4868341-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-09-19 | — | — | US | disclosed |
| US-4622164-A | LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-11-11 | — | — | US | disclosed |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |