Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 2/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10369609 | 0.96 | CYP3A4 (0.44) | NR1H3NR1D1CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL10371112 | 0.95 | CYP3A4 (0.46) | NR1H3NR1D1CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL10371061 | 0.91 | NR1D1 (0.40) | NR1D1CYP19A1CYP3A4CYP3A5KMT2A | |
| SCHEMBL10371540 | 0.91 | NPC1 (0.41) | NR1H3NR1D1CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL10372324 | 0.87 | CYP19A1 (0.43) | NR1H3NR1D1CYP19A1 | |
| SCHEMBL9804822 | 0.86 | CYP19A1 (0.42) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL10370475 | 0.84 | CYP19A1 (0.44) | NR1H3NR1D1CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL10369963 | 0.84 | CYP19A1 (0.41) | NR1H3NR1D1CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL10372451 | 0.84 | TDP1 (0.45) | NR1H3NR1D1CYP19A1CYP3A4CYP1A2 | |
| SCHEMBL10405109 | 0.84 | CYP3A4 (0.40) | CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19 |
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-0214793-B1 | (2-CYANO-2-ARYLETHYL)PYRIDINES, THEIR PREPARATION AND USE AS FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1990-06-13 | — | — | EP | disclosed |
| US-4933339-A | PHYTOPATHOGENS | ROHM AND HAAS COMPANY (US) | 1990-06-12 | — | — | US | disclosed |
| EP-0214793-A1 | (2-Cyano-2-arylethyl)pyridines, their preparation and use as fungicides | ROHM AND HAAS COMPANY (US) | 1987-03-18 | — | — | EP | disclosed |