Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 5/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31358573 | 0.80 | CYP1A2 (0.55) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11231844 | 0.80 | FDPS (0.61) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL74145 | 0.80 | CYP1A2 (0.55) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL95744 | 0.80 | FDPS (0.61) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29582746 | 0.80 | FDPS (0.61) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL27962089 | 0.78 | CHRNB2 (0.57) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7382527 | 0.77 | FDPS (0.54) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15516269 | 0.77 | CYP1A2 (0.61) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14036231 | 0.77 | CYP1A2 (0.61) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19117642 | 0.77 | CYP1A2 (0.51) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 |
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-4339455-A | 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1982-07-13 | — | — | US | disclosed |
| US-4189486-A | FUNGICIDES | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1980-02-19 | — | — | US | disclosed |