Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7001871 | 0.82 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL765190 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL5145585 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL9614595 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL238218 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL4454996 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL5145593 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL23633166 | 0.74 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL2484068 | 0.74 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19KIF11KCNA5 | |
| SCHEMBL11122216 | 0.74 | FDPS (0.44) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 |
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-4357319-A | INSECTICIDES, ATTRACTANTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-11-02 | — | — | US | disclosed |
| US-4328206-A | Method of attracting and destroying tobacco beetles with alkyl phenethylethers | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-05-04 | — | — | US | disclosed |