Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 3/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL91836 | 0.88 | GPR3 (0.37) | GPR3ESR1ESR2SCN5AAKR1C3 | |
| SCHEMBL91865 | 0.88 | GPR3 (0.37) | GPR3ESR1ESR2SCN5AAKR1C3 | |
| SCHEMBL91853 | 0.87 | S1PR1 (0.35) | GPR3ESR1ESR2SCN5AAKR1C3 | |
| SCHEMBL91797 | 0.87 | ESR1 (0.33) | GPR3ESR1ESR2SCN5AAKR1C3 | |
| SCHEMBL91796 | 0.82 | CYP11B1 (0.33) | GPR3ESR1ESR2SCN5AAKR1C3 | |
| SCHEMBL22447434 | 0.80 | AR (0.42) | ESR1ESR2AKR1C3AKR1C2S1PR1 | |
| SCHEMBL16727887 | 0.79 | GPR3 (0.55) | GPR3ESR1ESR2SCN5AS1PR1 | |
| SCHEMBL16945881 | 0.74 | GPR3 (0.48) | GPR3SCN5AFFAR1S1PR1FFAR4 | |
| SCHEMBL12829126 | 0.73 | GPR3 (0.38) | GPR3FFAR4BCHEACHEAR | |
| SCHEMBL28693669 | 0.72 | GPR3 (0.37) | GPR3SCN5AAKR1C3AKR1C2FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |