Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154040 | 1.00 | CYP1A2 (0.45) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL22457914 | 0.96 | CYP1A2 (0.45) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL22166115 | 0.96 | CYP1A2 (0.45) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL17147739 | 0.92 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL13614977 | 0.92 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL19304387 | 0.91 | CYP1A2 (0.54) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9767608 | 0.86 | CYP1A2 (0.37) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9149955 | 0.85 | CYP1A2 (0.34) | CYP1A2LMNAMAPK1MEN1KMT2A | |
| SCHEMBL9149947 | 0.85 | CYP1A2 (0.34) | CYP1A2LMNAMAPK1MEN1KMT2A | |
| SCHEMBL9639972 | 0.84 | CYP1A2 (0.59) | CYP1A2PKMHTTLMNAMAPK1 |
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-0418362-B1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-01-04 | — | — | EP | disclosed |
| US-5209868-A | Liquid crystal medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| WO-1990012073-A1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-10-18 | — | — | WO | disclosed |