Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326030 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061043 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061048 | 0.85 | CYP1A1 (0.60) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061044 | 0.85 | CYP1A1 (0.60) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061410 | 0.83 | POLB (0.48) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061021 | 0.81 | CYP1A1 (0.51) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061231 | 0.81 | CYP1A1 (0.51) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6060877 | 0.79 | POLB (0.47) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL6061011 | 0.79 | GAA (0.60) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL8645501 | 0.75 | ALDH1A1 (0.74) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 |
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-1482953-A4 | ALPHA-SUBSTITUTED HETEROARYLALKYL PHOSPHONATE DERIVATTIVES | ILEX PRODUCTS INC (US) | 2006-12-13 | — | — | EP | disclosed |
| EP-1482953-A1 | ALPHA-SUBSTITUTED HETEROARYLALKYL PHOSPHONATE DERIVATTIVES | Ilex Products, Inc. (US) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003068240-A1 | ALPHA-SUBSTITUTED HETEROARYLALKYL PHOSPHONATE DERIVATTIVES | ILEX PRODUCTS, INC. (US) | 2003-08-21 | — | — | WO | disclosed |