Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9312870 | 0.98 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9315037 | 0.98 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9313867 | 0.98 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9315046 | 0.94 | CYP1A2 (0.48) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL17614842 | 0.87 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL6436266 | 0.86 | TLR4 (0.36) | CYP1A2CYP2C9 | |
| SCHEMBL9315568 | 0.86 | TLR4 (0.36) | CYP1A2CYP2C9 | |
| SCHEMBL10346757 | 0.85 | CYP1A2 (0.54) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10707112 | 0.85 | CYP1A2 (0.54) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10346759 | 0.85 | CYP1A2 (0.54) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0425622-B1 | MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 1994-10-12 | — | — | EP | disclosed |
| US-5308537-A | Unsaturated liquid crystal compounds containing trifluoromethyl groups | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-05-03 | — | — | US | disclosed |