Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 4/20 | 0.36 |
| ▸ | P4HB | P07237 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804916 | 0.90 | CYP19A1 (0.38) | CYP19A1VNN1GRIN2BGRIN1GAA | |
| SCHEMBL9804794 | 0.87 | CYP19A1 (0.37) | CYP19A1NPSR1TSHRMEN1KMT2A | |
| SCHEMBL9804805 | 0.85 | CYP19A1 (0.40) | CYP19A1NPSR1MEN1MAPTKMT2A | |
| SCHEMBL9804830 | 0.85 | CYP19A1 (0.39) | CYP19A1VNN1GRIN2BGRIN1NPSR1 | |
| SCHEMBL9804838 | 0.82 | VNN1 (0.38) | VNN1GRIN2BGRIN1GAACTSC | |
| SCHEMBL9804841 | 0.79 | CYP3A4 (0.38) | CYP19A1NPSR1TSHRMEN1MAPT | |
| SCHEMBL9804782 | 0.79 | CYP19A1 (0.39) | CYP19A1GAANPSR1P2RX3KCNH2 | |
| SCHEMBL9804823 | 0.78 | EBP (0.39) | CYP19A1VNN1MEN1KMT2A | |
| SCHEMBL9804667 | 0.76 | CYP19A1 (0.40) | CYP19A1NPSR1 | |
| SCHEMBL9804963 | 0.75 | CYP19A1 (0.42) | CYP19A1NPSR1MEN1KMT2A |
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-0276920-B1 | (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES | ROHM AND HAAS COMPANY (US) | 1991-04-03 | — | — | EP | disclosed |
| EP-0276920-A1 | (2-Cyano-2-(phenyl or naphthyl)-2-substituted-ethyl) pyrazines, pyrimidines and pyridazines | ROHM AND HAAS COMPANY (US) | 1988-08-03 | — | — | EP | disclosed |