Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.44 |
| ▸ | FDPS | P14324 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10372391 | 0.93 | CYP19A1 (0.42) | CYP19A1FDPSCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10370398 | 0.84 | NR1H3 (0.41) | CYP19A1FDPSCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10369963 | 0.84 | CYP19A1 (0.41) | CYP19A1FDPSCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10372451 | 0.84 | TDP1 (0.45) | CYP19A1FDPSCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10369609 | 0.83 | CYP3A4 (0.44) | CYP19A1FDPSCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10370926 | 0.82 | CYP19A1 (0.41) | CYP19A1FDPSCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10370353 | 0.81 | KMT2A (0.40) | CYP19A1FDPSCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10405109 | 0.81 | CYP3A4 (0.40) | CYP19A1FDPSCYP3A4CYP2D6CYP1A2 | |
| SCHEMBL10371540 | 0.81 | NPC1 (0.41) | CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10371112 | 0.80 | CYP3A4 (0.46) | 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 |