Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.38 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.38 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3833284 | 0.97 | — | — | |
| SCHEMBL599696 | 0.97 | — | — | |
| SCHEMBL10175142 | 0.97 | — | — | |
| Iodomethane SCHEMBL8981617 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TDP1GABRR1CYP1A2TP53 | |
| SCHEMBL30213431 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TDP1GABRR1CYP1A2ENPEP | |
| Levulinic Acid SCHEMBL30924217 | 0.84 | LMNA (0.61) | ALDH1A1TDP1GABRR1CYP1A2FOLH1 | |
| SCHEMBL2343475 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TDP1GABRR1CYP1A2FOLH1 | |
| SCHEMBL27571000 | 0.77 | KDM4E (0.44) | ALDH1A1TDP1GABRR1CYP1A2TP53 | |
| SCHEMBL791253 | 0.77 | — | — | |
| SCHEMBL8792288 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1070908-A | The preparation method of agricultural combination containing antifungal carbinols | DU PONT MERCK PHARMA (US) | 1993-04-14 | — | — | CN | claimed |
| CN-87104440-A | Fungicidal carbinols | — | 1988-01-13 | — | — | CN | claimed |