Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | APP | P05067 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL18855109 | 1.00 | CYP3A4 (0.53) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL19393937 | 0.87 | CYP3A4 (0.41) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL20220260 | 0.87 | CYP3A4 (0.41) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL18458513 | 0.87 | CYP3A4 (0.57) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL18411545 | 0.87 | CYP3A4 (0.57) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL18855167 | 0.86 | CYP3A4 (0.40) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL20118632 | 0.85 | CYP3A4 (0.56) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL11891678 | 0.85 | CYP3A4 (0.52) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL19803789 | 0.85 | CYP3A4 (0.52) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL9501457 | 0.84 | CYP3A4 (0.60) | CYP3A4APPCYP2C9CYP2D6CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| EP-3240861-B1 | LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME | MERCK PATENT GMBH (DE) | 2019-03-13 | — | — | EP | disclosed |
| EP-2883937-B1 | LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2018-03-21 | — | — | EP | disclosed |
| EP-2883938-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | DAINIPPON INK & CHEMICALS (JP) | 2017-10-25 | — | — | EP | disclosed |
| EP-2837670-B1 | FLUOROBIPHENYL-CONTAINING COMPOSITION | DAINIPPON INK & CHEMICALS (JP) | 2017-09-27 | — | — | EP | disclosed |
| EP-2781578-B1 | NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2017-03-01 | — | — | EP | disclosed |