Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL11125854 | 1.00 | CYP1A2 (0.41) | CYP1A2EPHX1LSSSIGMAR1ALDH1A1 | |
| SCHEMBL13084102 | 0.85 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL23181339 | 0.80 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL11215278 | 0.78 | SIGMAR1 (0.40) | CYP1A2SIGMAR1 | |
| SCHEMBL11005762 | 0.74 | CYP1A2 (0.39) | CYP1A2EPHX1LSSSIGMAR1ALDH1A1 | |
| SCHEMBL1155482 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL9636003 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL9648977 | 0.73 | CYP1A2 (0.37) | CYP1A2EPHX1LSSALDH1A1 | |
| SCHEMBL9648111 | 0.73 | CYP1A2 (0.37) | CYP1A2EPHX1LSSALDH1A1 | |
| SCHEMBL9648803 | 0.73 | CYP1A2 (0.37) | CYP1A2EPHX1LSSALDH1A1 |
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-115400799-B | Fuel additive, preparation method thereof and hydrocarbon fuel nanofluid | 天津大学 | 2023-08-01 | — | — | CN | disclosed |