Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL599080 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL598808 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL597878 | 0.75 | CYP1A2 (0.73) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL27832989 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9038677 | 0.71 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL599403 | 0.70 | CYP2A6 (0.52) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL30661085 | 0.70 | CYP2A6 (0.52) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL27280211 | 0.69 | CYP1A2 (0.40) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8562301 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL5251220 | 0.68 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030162992-A1 | Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde | PHARMASSET, INC. | 2003-08-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030162992-A1 | Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde | DERA, DPYD, DHPS | CYP1A2 592/4885CYP2A6 1024/4885ALDH1A1 14/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.