Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 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 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL10372958 | 0.93 | TDP1 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL10371783 | 0.86 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL9804705 | 0.86 | CYP19A1 (0.39) | — | |
| SCHEMBL10372300 | 0.85 | FDPS (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL9804704 | 0.82 | KDM4E (0.34) | CYP2D6KCNH2ALDH1A1RAB9A | |
| SCHEMBL10371177 | 0.81 | SIGMAR1 (0.35) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL10370917 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL10372451 | 0.80 | TDP1 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL10370889 | 0.80 | CYP19A1 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL9804652 | 0.79 | CTDSP1 (0.32) | CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |