Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.32 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18509521 | 0.87 | FFAR4 (0.30) | FFAR4 | |
| SCHEMBL19985413 | 0.87 | ESR2 (0.39) | CYP3A4CYP2C9APP | |
| SCHEMBL19986351 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C9APPS1PR1NOTUM | |
| SCHEMBL19985409 | 0.84 | ESR2 (0.32) | CYP3A4CYP2C9DGAT1 | |
| SCHEMBL19986350 | 0.83 | CYP3A4 (0.37) | CYP3A4CYP2C9APPS1PR1FFAR4 | |
| SCHEMBL19985426 | 0.82 | CYP2C9 (0.41) | CYP3A4CYP2C9MAPTKMT2ADGAT1 | |
| SCHEMBL19986374 | 0.82 | S1PR1 (0.49) | CYP3A4CYP2C9APPS1PR1NOTUM | |
| SCHEMBL19986346 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C9APPS1PR1NOTUM | |
| SCHEMBL19986348 | 0.81 | CYP3A4 (0.36) | CYP3A4CYP2C9APPS1PR1NOTUM | |
| SCHEMBL19986379 | 0.81 | FEN1 (0.35) | FEN1PTGDRPTGDR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180079959-A1 | LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY | DIC CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |