Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.38 |
| ▸ | CA2 | P00918 | 12/20 | 0.38 |
| ▸ | CA4 | P22748 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | EYA2 | O00167 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL31154469 | 0.93 | CA12 (0.31) | CA1CA2 | |
| SCHEMBL10897153 | 0.75 | TDP1 (0.39) | TDP1EYA2APPACEBLM | |
| SCHEMBL1615758 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL11152858 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL11150578 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL5041586 | 0.69 | CA1 (0.53) | CA1CA2CA4TDP1EYA2 | |
| SCHEMBL20366323 | 0.69 | CA1 (0.53) | CA1CA2CA4TDP1EYA2 | |
| SCHEMBL6632783 | 0.68 | HCAR2 (0.41) | — | |
| SCHEMBL1615551 | 0.68 | HCAR2 (0.41) | — | |
| SCHEMBL10898242 | 0.68 | NR1D1 (0.35) | TSHRCYP2C19HSD17B10 |
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-118993895-A | Gem-dinitroester energetic compound and preparation method thereof | 南京理工大学 | 2024-11-22 | — | — | CN | disclosed |