Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
| ▸ | QPCT | Q16769 | 1/20 | 0.30 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7609697 | 0.81 | TBXAS1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| Diethanolamine SCHEMBL29183446 | 0.66 | QPCT (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL28260553 | 0.64 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL11543449 | 0.63 | TBXAS1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL12473244 | 0.60 | TBXAS1 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10 | |
| Diethanolamine SCHEMBL23363665 | 0.60 | TSHR (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1CA12 | |
| Diethanolamine SCHEMBL8930798 | 0.60 | TSHR (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1CA12 | |
| Diethanolamine SCHEMBL5843119 | 0.60 | — | — | |
| Diethanolamine SCHEMBL2324 | 0.60 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.60 | TSHR (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023277517-A1 | ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE | 동아대학교 산학협력단 | 2023-01-05 | — | — | WO | disclosed |