Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20280271 | 0.81 | TP53 (0.42) | CYP3A4TSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL1762357 | 0.78 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL27542435 | 0.78 | ALDH1A1 (0.39) | TSHRALDH1A1HPGDMEN1CYP1A2 | |
| SCHEMBL27859662 | 0.78 | BACE1 (0.34) | ALDH1A1ANPEP | |
| SCHEMBL479932 | 0.75 | HTT (0.46) | CA1CA2ALDH1A1HTTHTR2A | |
| SCHEMBL19862410 | 0.75 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL28796014 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL27643682 | 0.74 | PDE2A (0.50) | TSHRALDH1A1LMNAHTR2ASLC6A4 | |
| SCHEMBL27938557 | 0.73 | LMNA (0.32) | ALDH1A1LMNATP53HTT | |
| SCHEMBL7038606 | 0.72 | ADRB2 (0.42) | CYP3A4TSHRALDH1A1LMNASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102264701-A | Dihydropyridone ureas as P2X7 modulators | — | 2011-11-30 | — | — | CN | disclosed |