Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL28533470 | 0.91 | GABRA1 (0.41) | GABRA1GABRB2KDM4ELMNACYP1A2 | |
| SCHEMBL9614876 | 0.84 | GABRA1 (0.39) | GABRA1GABRB2KDM4ELMNACYP1A2 | |
| SCHEMBL18668719 | 0.84 | KMT2A (0.40) | GABRA1GABRB2KDM4ELMNACYP1A2 | |
| SCHEMBL251314 | 0.83 | PTGDR2 (0.40) | GABRA1GABRB2KDM4ELMNACYP1A2 | |
| SCHEMBL28508389 | 0.78 | GABRA1 (0.58) | GABRA1GABRB2KDM4ELMNACYP1A2 | |
| SCHEMBL11828421 | 0.77 | SLC6A4 (0.41) | GABRA1GABRB2HTTKMT2ASLC6A2 | |
| SCHEMBL30607690 | 0.77 | SLC6A4 (0.37) | SLC6A2SLC6A4SLC6A3ESR2ASPH | |
| SCHEMBL11835299 | 0.75 | SLC6A4 (0.38) | KMT2ASLC6A2SLC6A4SLC6A3ESR2 | |
| SCHEMBL83597 | 0.74 | GABRA1 (0.39) | GABRA1GABRB2KDM4ELMNACYP1A2 | |
| SCHEMBL17594282 | 0.73 | SLC6A2 (0.39) | KDM4ECYP1A2CYP2D6CYP2C19KMT2A |
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-0002136-B1 | SUBSTITUTED BENZONITRILES, THEIR PREPARATION, LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM AND DISPLAY DEVICES EMPLOYING SUCH COMPOSITIONS | Chisso Corporation (JP) | 1981-10-21 | — | — | EP | disclosed |
| US-4211666-A | ALKYLCYCLOHEXENES WITH A CYANOPHENYL OR CYANOBIPHENYL GROUP | CHISSO CORPORATION (JP) | 1980-07-08 | — | — | US | disclosed |
| EP-0002136-A1 | Substituted benzonitriles, their preparation, liquid crystal compositions containing them and display devices employing such compositions | Chisso Corporation (JP) | 1979-05-30 | — | — | EP | disclosed |